 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer12_STD_M11_augccpVDZ.in
 Output=26_junionone_conformer12_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-21807.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     21808.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer12_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:11:16 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer12_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.485536000000     -1.394131000000      1.201364000000
  C                                                 1.966773000000     -0.392200000000      0.165915000000
  C                                                 0.868394000000      0.353659000000     -0.698378000000
  C                                                -0.497714000000      0.352190000000     -0.124912000000
  C                                                -1.585230000000     -0.118716000000     -0.740357000000
  C                                                -2.947927000000     -0.130962000000     -0.173989000000
  O                                                -3.869650000000     -0.592319000000     -0.821022000000
  C                                                 3.006329000000     -1.028151000000     -0.749724000000
  C                                                 2.432922000000      0.991915000000      0.695754000000
  C                                                 1.648186000000      1.678903000000     -0.442484000000
  C                                                -3.180010000000      0.431009000000      1.214107000000
  H                                                 3.509420000000      1.160900000000      0.735423000000
  H                                                 2.013908000000      1.213736000000      1.678261000000
  H                                                 0.832257000000      0.021669000000     -1.736686000000
  H                                                 1.043279000000      2.544670000000     -0.175495000000
  H                                                 2.275831000000      1.947927000000     -1.290478000000
  H                                                 2.329017000000     -1.760136000000      1.792254000000
  H                                                 1.010690000000     -2.255206000000      0.725171000000
  H                                                 0.763959000000     -0.954931000000      1.891159000000
  H                                                 2.586445000000     -1.890920000000     -1.272224000000
  H                                                 3.868238000000     -1.369574000000     -0.171198000000
  H                                                 3.366384000000     -0.323153000000     -1.501537000000
  H                                                -0.599262000000      0.771738000000      0.871956000000
  H                                                -1.515981000000     -0.539617000000     -1.738100000000
  H                                                -2.885796000000      1.481413000000      1.263267000000
  H                                                -2.589096000000     -0.110594000000      1.955779000000
  H                                                -4.235638000000      0.339532000000      1.456836000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:11:17 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.485536   -1.394131    1.201364
      2          6           0        1.966773   -0.392200    0.165915
      3          6           0        0.868394    0.353659   -0.698378
      4          6           0       -0.497714    0.352190   -0.124912
      5          6           0       -1.585230   -0.118716   -0.740357
      6          6           0       -2.947927   -0.130962   -0.173989
      7          8           0       -3.869650   -0.592319   -0.821022
      8          6           0        3.006329   -1.028151   -0.749724
      9          6           0        2.432922    0.991915    0.695754
     10          6           0        1.648186    1.678903   -0.442484
     11          6           0       -3.180010    0.431009    1.214107
     12          1           0        3.509420    1.160900    0.735423
     13          1           0        2.013908    1.213736    1.678261
     14          1           0        0.832257    0.021669   -1.736686
     15          1           0        1.043279    2.544670   -0.175495
     16          1           0        2.275831    1.947927   -1.290478
     17          1           0        2.329017   -1.760136    1.792254
     18          1           0        1.010690   -2.255206    0.725171
     19          1           0        0.763959   -0.954931    1.891159
     20          1           0        2.586445   -1.890920   -1.272224
     21          1           0        3.868238   -1.369574   -0.171198
     22          1           0        3.366384   -0.323153   -1.501537
     23          1           0       -0.599262    0.771738    0.871956
     24          1           0       -1.515981   -0.539617   -1.738100
     25          1           0       -2.885796    1.481413    1.263267
     26          1           0       -2.589096   -0.110594    1.955779
     27          1           0       -4.235638    0.339532    1.456836
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519082   0.000000
     3  C    2.654177   1.584217   0.000000
     4  C    2.956675   2.590829   1.481593   0.000000
     5  C    3.850528   3.675983   2.499034   1.335371   0.000000
     6  C    4.810695   4.933362   3.882544   2.497877   1.475759
     7  O    5.780222   5.922662   4.833113   3.570241   2.334391
     8  C    2.500699   1.524305   2.546135   3.817597   4.680766
     9  C    2.616562   1.553640   2.190599   3.109882   4.409247
    10  C    3.488872   2.181998   1.558791   2.542815   3.711488
    11  C    5.009852   5.316555   4.478075   2.998983   2.581753
    12  H    3.292627   2.261906   3.111662   4.177477   5.456263
    13  H    2.703253   2.206455   2.774950   3.209663   4.536401
    14  H    3.326169   2.253509   1.090691   2.115628   2.618515
    15  H    4.195889   3.097516   2.259319   2.680333   3.784409
    16  H    4.243017   2.773588   2.207522   3.405506   4.413778
    17  H    1.092964   2.155794   3.578379   4.015950   4.942642
    18  H    1.092561   2.167407   2.975385   3.129926   3.667583
    19  H    1.090590   2.177130   2.903277   2.713840   3.625303
    20  H    2.752715   2.167579   2.884291   3.982450   4.563602
    21  H    2.749872   2.164365   3.499502   4.693416   5.623958
    22  H    3.462695   2.178090   2.709814   4.157215   5.013948
    23  H    3.024216   2.904786   2.189692   1.086314   2.089161
    24  H    4.287161   3.971974   2.750311   2.105840   1.085101
    25  H    5.232698   5.316205   4.383357   2.984145   2.875134
    26  H    4.338114   4.902944   4.383414   2.986189   2.876971
    27  H    5.983535   6.377445   5.540423   4.058838   3.473084
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216994   0.000000
     8  C    6.048932   6.890147   0.000000
     9  C    5.565145   6.673292   2.549288   0.000000
    10  C    4.946914   5.978984   3.044190   1.543810   0.000000
    11  C    1.515416   2.380032   6.652561   5.664655   5.254808
    12  H    6.647802   7.742543   2.692714   1.090402   2.262738
    13  H    5.464325   6.642628   3.450517   1.090916   2.201748
    14  H    4.093301   4.829426   2.608219   3.069246   2.255465
    15  H    4.805074   5.864663   4.116838   2.258590   1.089380
    16  H    5.732013   6.666346   3.111765   2.209922   1.088764
    17  H    5.862291   6.827626   2.730605   2.964269   4.157472
    18  H    4.581654   5.382715   2.768313   3.545053   4.152955
    19  H    4.326876   5.381240   3.465234   2.829247   3.628337
    20  H    5.910401   6.600842   1.092556   3.493887   3.783178
    21  H    6.927790   7.803929   1.092771   2.896268   3.780931
    22  H    6.455218   7.272946   1.091735   2.725590   2.842890
    23  H    2.724903   3.927119   4.343931   3.045269   2.757122
    24  H    2.159609   2.526572   4.654765   4.884984   4.075832
    25  H    2.160861   3.100418   6.713209   5.371261   4.848256
    26  H    2.159881   3.095562   6.282550   5.293756   5.187343
    27  H    2.130529   2.488158   7.693215   6.743481   6.326193
                   11         12         13         14         15
    11  C    0.000000
    12  H    6.746136   0.000000
    13  H    5.273034   1.768698   0.000000
    14  H    4.997302   3.817902   3.805153   0.000000
    15  H    4.922878   2.970933   2.479903   2.974455   0.000000
    16  H    6.191945   2.499085   3.069373   2.448158   1.765920
    17  H    5.956908   3.323055   2.992692   4.227119   4.904744
    18  H    5.001677   4.232439   3.734754   3.358085   4.883756
    19  H    4.234870   3.653768   2.512133   3.757615   4.073854
    20  H    6.695162   3.767776   4.321117   2.636455   4.822721
    21  H    7.405334   2.711828   3.678659   3.688291   4.827185
    22  H    7.127325   2.688282   3.781843   2.568267   3.921685
    23  H    2.625533   4.129329   2.770225   3.068691   2.634081
    24  H    3.525143   5.853608   5.215926   2.414387   4.301671
    25  H    1.091937   6.424962   4.924527   4.995447   4.317196
    26  H    1.092058   6.348060   4.797761   5.035618   4.978645
    27  H    1.087031   7.821829   6.314276   5.998598   5.949294
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.822426   0.000000
    18  H    4.830088   1.766846   0.000000
    19  H    4.564554   1.762823   1.763837   0.000000
    20  H    3.851436   3.078051   2.570077   3.768889   0.000000
    21  H    3.846344   2.525249   3.123044   3.749906   1.768348
    22  H    2.528172   3.740335   3.773639   4.322285   1.766008
    23  H    3.784931   3.978964   3.431600   2.424568   4.672899
    24  H    4.556981   5.360697   3.923648   4.306058   4.344302
    25  H    5.777685   6.162933   5.425355   4.432915   6.909903
    26  H    6.200259   5.189948   4.367175   3.458332   6.354195
    27  H    7.248027   6.900421   5.898471   5.182687   7.678770
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.765405   0.000000
    23  H    5.062800   4.749590   0.000000
    24  H    5.668670   4.892883   3.061441   0.000000
    25  H    7.470127   7.070386   2.425902   3.869000   0.000000
    26  H    6.914205   6.889554   2.431588   3.870449   1.761275
    27  H    8.440636   8.184245   3.708385   4.286847   1.778605
                   26         27
    26  H    0.000000
    27  H    1.778386   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.99D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.485536   -1.394131    1.201364
      2          6           0        1.966773   -0.392200    0.165915
      3          6           0        0.868394    0.353659   -0.698378
      4          6           0       -0.497714    0.352190   -0.124912
      5          6           0       -1.585230   -0.118716   -0.740357
      6          6           0       -2.947927   -0.130962   -0.173989
      7          8           0       -3.869650   -0.592319   -0.821022
      8          6           0        3.006329   -1.028151   -0.749724
      9          6           0        2.432922    0.991915    0.695754
     10          6           0        1.648186    1.678903   -0.442484
     11          6           0       -3.180010    0.431009    1.214107
     12          1           0        3.509420    1.160900    0.735423
     13          1           0        2.013908    1.213736    1.678261
     14          1           0        0.832257    0.021669   -1.736686
     15          1           0        1.043279    2.544670   -0.175495
     16          1           0        2.275831    1.947927   -1.290478
     17          1           0        2.329017   -1.760136    1.792254
     18          1           0        1.010690   -2.255206    0.725171
     19          1           0        0.763959   -0.954931    1.891159
     20          1           0        2.586445   -1.890920   -1.272224
     21          1           0        3.868238   -1.369574   -0.171198
     22          1           0        3.366384   -0.323153   -1.501537
     23          1           0       -0.599262    0.771738    0.871956
     24          1           0       -1.515981   -0.539617   -1.738100
     25          1           0       -2.885796    1.481413    1.263267
     26          1           0       -2.589096   -0.110594    1.955779
     27          1           0       -4.235638    0.339532    1.456836
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1948938           0.5074064           0.4967916
 Leave Link  202 at Thu Aug 12 21:11:17 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       610.1943807680 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:11:19 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.45D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 21:11:20 2021, MaxMem=  5368709120 cpu:               6.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:11:21 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer12_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:11:22 2021, MaxMem=  5368709120 cpu:               6.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.623092124317    
 DIIS: error= 2.74D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.623092124317     IErMin= 1 ErrMin= 2.74D-03
 ErrMax= 2.74D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-02 BMatP= 1.32D-02
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.74D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.377 Goal=   None    Shift=    0.000
 GapD=    0.377 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.61D-02 MaxDP=6.44D+00              OVMax= 2.32D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.78D-02    CP:  1.71D+00
 E= -465.636625641179     Delta-E=       -0.013533516862 Rises=F Damp=F
 DIIS: error= 6.66D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.636625641179     IErMin= 2 ErrMin= 6.66D-04
 ErrMax= 6.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.97D-04 BMatP= 1.32D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.66D-03
 Coeff-Com: -0.714D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.709D-02 0.101D+01
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=6.23D-03 MaxDP=1.20D+00 DE=-1.35D-02 OVMax= 1.07D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.60D-03    CP:  1.83D+00  1.16D+00
 E= -465.636822591483     Delta-E=       -0.000196950304 Rises=F Damp=F
 DIIS: error= 7.95D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.636822591483     IErMin= 2 ErrMin= 6.66D-04
 ErrMax= 7.95D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.39D-04 BMatP= 5.97D-04
 IDIUse=3 WtCom= 2.62D-01 WtEn= 7.38D-01
 Coeff-Com: -0.500D-01 0.557D+00 0.493D+00
 Coeff-En:   0.000D+00 0.375D+00 0.625D+00
 Coeff:     -0.131D-01 0.423D+00 0.590D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=4.87D-04 MaxDP=8.36D-02 DE=-1.97D-04 OVMax= 7.04D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.15D-04    CP:  1.84D+00  1.17D+00  1.05D+00
 E= -465.637273518348     Delta-E=       -0.000450926865 Rises=F Damp=F
 DIIS: error= 3.00D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.637273518348     IErMin= 4 ErrMin= 3.00D-04
 ErrMax= 3.00D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-04 BMatP= 5.97D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.00D-03
 Coeff-Com: -0.514D-02-0.583D-01 0.269D+00 0.794D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+00 0.900D+00
 Coeff:     -0.513D-02-0.581D-01 0.269D+00 0.794D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=3.75D-04 MaxDP=6.71D-02 DE=-4.51D-04 OVMax= 2.19D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.22D-04    CP:  1.84D+00  1.18D+00  1.16D+00  1.02D+00
 E= -465.637360936939     Delta-E=       -0.000087418591 Rises=F Damp=F
 DIIS: error= 5.64D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.637360936939     IErMin= 5 ErrMin= 5.64D-05
 ErrMax= 5.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-06 BMatP= 1.15D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.245D-02-0.723D-01 0.560D-01 0.304D+00 0.710D+00
 Coeff:      0.245D-02-0.723D-01 0.560D-01 0.304D+00 0.710D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=5.66D-05 MaxDP=2.83D-03 DE=-8.74D-05 OVMax= 4.99D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.31D-05    CP:  1.84D+00  1.18D+00  1.18D+00  1.05D+00  1.16D+00
 E= -465.637363490931     Delta-E=       -0.000002553993 Rises=F Damp=F
 DIIS: error= 1.12D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.637363490931     IErMin= 6 ErrMin= 1.12D-05
 ErrMax= 1.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-07 BMatP= 2.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.117D-02-0.123D-01-0.123D-01 0.178D-03 0.165D+00 0.858D+00
 Coeff:      0.117D-02-0.123D-01-0.123D-01 0.178D-03 0.165D+00 0.858D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=2.03D-05 MaxDP=2.44D-03 DE=-2.55D-06 OVMax= 3.18D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.00D-05    CP:  1.84D+00  1.18D+00  1.18D+00  1.07D+00  1.23D+00
                    CP:  1.13D+00
 E= -465.637363729982     Delta-E=       -0.000000239051 Rises=F Damp=F
 DIIS: error= 4.25D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.637363729982     IErMin= 7 ErrMin= 4.25D-06
 ErrMax= 4.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-08 BMatP= 1.23D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.790D-04 0.487D-02-0.110D-01-0.385D-01-0.351D-01 0.328D+00
 Coeff-Com:  0.752D+00
 Coeff:      0.790D-04 0.487D-02-0.110D-01-0.385D-01-0.351D-01 0.328D+00
 Coeff:      0.752D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=7.18D-06 MaxDP=1.10D-03 DE=-2.39D-07 OVMax= 9.35D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.12D-06    CP:  1.84D+00  1.18D+00  1.17D+00  1.07D+00  1.24D+00
                    CP:  1.17D+00  1.05D+00
 E= -465.637363775459     Delta-E=       -0.000000045477 Rises=F Damp=F
 DIIS: error= 1.62D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.637363775459     IErMin= 8 ErrMin= 1.62D-06
 ErrMax= 1.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-09 BMatP= 2.98D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-03 0.227D-02-0.439D-03-0.757D-02-0.288D-01-0.323D-01
 Coeff-Com:  0.108D+00 0.959D+00
 Coeff:     -0.116D-03 0.227D-02-0.439D-03-0.757D-02-0.288D-01-0.323D-01
 Coeff:      0.108D+00 0.959D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=2.05D-06 MaxDP=9.88D-05 DE=-4.55D-08 OVMax= 5.96D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.26D-06    CP:  1.84D+00  1.18D+00  1.17D+00  1.06D+00  1.24D+00
                    CP:  1.18D+00  1.13D+00  1.30D+00
 E= -465.637363780667     Delta-E=       -0.000000005207 Rises=F Damp=F
 DIIS: error= 5.35D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.637363780667     IErMin= 9 ErrMin= 5.35D-07
 ErrMax= 5.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.95D-10 BMatP= 1.64D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.483D-04 0.305D-03 0.110D-02 0.129D-02-0.714D-02-0.446D-01
 Coeff-Com: -0.605D-01 0.366D+00 0.743D+00
 Coeff:     -0.483D-04 0.305D-03 0.110D-02 0.129D-02-0.714D-02-0.446D-01
 Coeff:     -0.605D-01 0.366D+00 0.743D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.23D-06 MaxDP=1.68D-04 DE=-5.21D-09 OVMax= 1.37D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.40D-07    CP:  1.84D+00  1.18D+00  1.17D+00  1.06D+00  1.24D+00
                    CP:  1.18D+00  1.14D+00  1.42D+00  1.14D+00
 E= -465.637363781377     Delta-E=       -0.000000000711 Rises=F Damp=F
 DIIS: error= 1.71D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.637363781377     IErMin=10 ErrMin= 1.71D-07
 ErrMax= 1.71D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-11 BMatP= 4.95D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.115D-04-0.360D-03 0.340D-03 0.159D-02 0.407D-02 0.129D-02
 Coeff-Com: -0.391D-01-0.830D-01 0.756D-01 0.104D+01
 Coeff:      0.115D-04-0.360D-03 0.340D-03 0.159D-02 0.407D-02 0.129D-02
 Coeff:     -0.391D-01-0.830D-01 0.756D-01 0.104D+01
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=7.77D-07 MaxDP=1.31D-04 DE=-7.11D-10 OVMax= 8.10D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.91D-07    CP:  1.84D+00  1.18D+00  1.17D+00  1.06D+00  1.24D+00
                    CP:  1.17D+00  1.14D+00  1.46D+00  1.29D+00  1.39D+00
 E= -465.637363781522     Delta-E=       -0.000000000145 Rises=F Damp=F
 DIIS: error= 4.14D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.637363781522     IErMin=11 ErrMin= 4.14D-08
 ErrMax= 4.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.50D-12 BMatP= 3.67D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.490D-05-0.687D-04-0.346D-04 0.768D-04 0.102D-02 0.396D-02
 Coeff-Com: -0.390D-02-0.306D-01-0.541D-01 0.147D+00 0.936D+00
 Coeff:      0.490D-05-0.687D-04-0.346D-04 0.768D-04 0.102D-02 0.396D-02
 Coeff:     -0.390D-02-0.306D-01-0.541D-01 0.147D+00 0.936D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.14D-07 MaxDP=1.36D-05 DE=-1.45D-10 OVMax= 1.57D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.80D-08    CP:  1.84D+00  1.18D+00  1.17D+00  1.06D+00  1.24D+00
                    CP:  1.17D+00  1.13D+00  1.47D+00  1.31D+00  1.50D+00
                    CP:  1.29D+00
 E= -465.637363781530     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 1.48D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.637363781530     IErMin=12 ErrMin= 1.48D-08
 ErrMax= 1.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.78D-13 BMatP= 3.50D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.580D-06 0.350D-04-0.502D-04-0.201D-03-0.305D-03 0.884D-03
 Coeff-Com:  0.351D-02 0.605D-02-0.240D-01-0.103D+00 0.188D+00 0.929D+00
 Coeff:     -0.580D-06 0.350D-04-0.502D-04-0.201D-03-0.305D-03 0.884D-03
 Coeff:      0.351D-02 0.605D-02-0.240D-01-0.103D+00 0.188D+00 0.929D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=3.86D-08 MaxDP=4.53D-06 DE=-8.19D-12 OVMax= 5.31D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.68D-08    CP:  1.84D+00  1.18D+00  1.17D+00  1.06D+00  1.24D+00
                    CP:  1.17D+00  1.13D+00  1.47D+00  1.31D+00  1.53D+00
                    CP:  1.41D+00  1.26D+00
 E= -465.637363781502     Delta-E=        0.000000000028 Rises=F Damp=F
 DIIS: error= 4.77D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -465.637363781530     IErMin=13 ErrMin= 4.77D-09
 ErrMax= 4.77D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-14 BMatP= 3.78D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.445D-06 0.112D-04-0.630D-05-0.461D-04-0.122D-03-0.816D-04
 Coeff-Com:  0.792D-03 0.345D-02-0.124D-02-0.277D-01-0.323D-01 0.174D+00
 Coeff-Com:  0.883D+00
 Coeff:     -0.445D-06 0.112D-04-0.630D-05-0.461D-04-0.122D-03-0.816D-04
 Coeff:      0.792D-03 0.345D-02-0.124D-02-0.277D-01-0.323D-01 0.174D+00
 Coeff:      0.883D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=9.43D-09 MaxDP=1.48D-06 DE= 2.82D-11 OVMax= 9.03D-08

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.39D-09    CP:  1.84D+00  1.18D+00  1.17D+00  1.06D+00  1.24D+00
                    CP:  1.17D+00  1.13D+00  1.47D+00  1.31D+00  1.53D+00
                    CP:  1.43D+00  1.37D+00  1.16D+00
 E= -465.637363781498     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 1.37D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -465.637363781530     IErMin=14 ErrMin= 1.37D-09
 ErrMax= 1.37D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.20D-15 BMatP= 2.65D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.390D-07-0.996D-06 0.365D-05 0.825D-05 0.568D-05-0.103D-03
 Coeff-Com: -0.194D-03 0.155D-03 0.205D-02 0.480D-02-0.278D-01-0.583D-01
 Coeff-Com:  0.197D+00 0.883D+00
 Coeff:     -0.390D-07-0.996D-06 0.365D-05 0.825D-05 0.568D-05-0.103D-03
 Coeff:     -0.194D-03 0.155D-03 0.205D-02 0.480D-02-0.278D-01-0.583D-01
 Coeff:      0.197D+00 0.883D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=3.43D-09 MaxDP=3.78D-07 DE= 4.55D-12 OVMax= 4.48D-08

 SCF Done:  E(RM11) =  -465.637363781     A.U. after   14 cycles
            NFock= 14  Conv=0.34D-08     -V/T= 2.0067
 KE= 4.625430428221D+02 PE=-2.301081297927D+03 EE= 7.627065105551D+02
 Leave Link  502 at Thu Aug 12 21:24:25 2021, MaxMem=  5368709120 cpu:            6257.4 elap:             783.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.95652313D+02

 Leave Link  801 at Thu Aug 12 21:24:26 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 4.09D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.56D-01 5.12D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 2.50D-02 6.15D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 4.48D-03 1.88D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 3.55D-04 4.05D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 1.53D-05 8.08D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 6.78D-07 1.34D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 3.19D-08 2.54D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 9.95D-10 5.36D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 2.55D-11 7.61D-07.
      9 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 4.97D-13 8.33D-08.
      1 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 1.26D-14 1.28D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.171416D+03
      2  0.710898D+01  0.111810D+03
      3  0.559954D+01  0.417271D+01  0.114404D+03
 Isotropic polarizability for W=    0.085645      132.54 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.595904D+02 -0.456745D+02 -0.252964D+02
      2   0.541532D+02  0.405450D+02 -0.377955D+01
      3   0.543723D+01  0.512941D+01  0.290759D+02
      4  -0.431939D+02  0.102226D+03 -0.413644D+02
      5  -0.211200D+02 -0.464252D+02  0.283717D+02
      6  -0.244239D+02  0.136737D+02 -0.975742D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.898238D+01  0.950787D+01 -0.340851D+01
      2   0.112343D+02 -0.112857D+02  0.184311D+02
      3   0.303834D+02 -0.456696D+02  0.190742D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.506081D+01  0.174533D+02  0.148868D+02
      2  -0.417635D+01 -0.169405D+02  0.229345D+02
      3   0.248053D+01 -0.480733D+02  0.220013D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.262906D+01 -0.352592D+01 -0.457280D+01
      2  -0.352592D+01  0.810775D+00  0.366729D+01
      3  -0.457280D+01  0.366729D+01 -0.463369D+01
 OR G Eigenvalues:    -7.3399    -1.9200     8.0661  Iso=     0.3980
 Eigenvectors:
   (1)   0.321093  -0.269580   0.907869
   (2)   0.620807   0.783852   0.013189
   (3)   0.715190  -0.559377  -0.419047
 w=    0.085645 a.u., Optical Rotation Beta=      0.3980 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      123.98 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 4.01D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.85D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.38D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 2.08D-02 3.39D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 3.34D-03 1.27D-02.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 4.95D-05 1.03D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 6.70D-07 8.69D-05.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 1.22D-08 9.10D-06.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 2.11D-10 1.18D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 2.45D-12 1.48D-07.
     18 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 2.62D-14 1.50D-08.
      1 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 1.39D-15 3.93D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   259 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 7.03D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 7.03D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.70D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.171416D+03  0.710898D+01  0.559954D+01
      2   0.710898D+01  0.111810D+03  0.417271D+01
      3   0.559954D+01  0.417271D+01  0.114404D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.898238D+01  0.950787D+01 -0.340851D+01
      2   0.112343D+02 -0.112857D+02  0.184311D+02
      3   0.303834D+02 -0.456696D+02  0.190742D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.595904D+02 -0.456745D+02 -0.252964D+02
      2   0.541532D+02  0.405450D+02 -0.377955D+01
      3   0.543723D+01  0.512941D+01  0.290759D+02
      4  -0.431939D+02  0.102226D+03 -0.413644D+02
      5  -0.211200D+02 -0.464252D+02  0.283717D+02
      6  -0.244239D+02  0.136737D+02 -0.975742D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.232475D+01  0.166088D+01 -0.463237D+01  0.894775D+00  0.934647D+00
      2   0.166088D+01  0.832285D+00  0.395818D+01  0.934647D+00  0.318174D+01
      3  -0.463237D+01  0.395818D+01 -0.743113D+00  0.401054D+01  0.146811D+01
                 6             7             8             9            10 
      1   0.401054D+01 -0.480484D+01  0.400120D+01 -0.431169D+00  0.186389D+02
      2   0.146811D+01  0.400120D+01  0.206438D+01 -0.382037D+00 -0.246083D+01
      3  -0.109080D+01 -0.431169D+00 -0.382037D+00 -0.192435D+01  0.566429D+01
                11            12            13            14            15 
      1  -0.246083D+01  0.566429D+01 -0.585986D+01  0.119153D+01 -0.457645D+01
      2  -0.176159D-01 -0.373794D+01  0.119153D+01 -0.490726D+01 -0.245995D+01
      3  -0.373794D+01  0.312008D+00 -0.457645D+01 -0.245995D+01  0.119745D+00
                16            17            18            19            20 
      1   0.167056D+02 -0.449597D+01  0.199505D+01 -0.396736D+02 -0.192456D+01
      2  -0.449597D+01 -0.225752D+01  0.181565D+00 -0.192456D+01 -0.444004D+01
      3   0.199505D+01  0.181565D+00  0.106801D+01 -0.500461D+01  0.115100D+01
                21            22            23            24            25 
      1  -0.500461D+01  0.369007D+01 -0.844136D+01  0.283882D+01 -0.758748D+01
      2   0.115100D+01 -0.844136D+01 -0.198109D+01 -0.668832D+00  0.247046D+01
      3  -0.776577D+00  0.283882D+01 -0.668832D+00  0.310370D+01 -0.102762D+01
                26            27            28            29            30 
      1   0.247046D+01 -0.102762D+01  0.589001D+02  0.619841D+01  0.585202D+01
      2  -0.975844D+00  0.293097D+01  0.619841D+01  0.388788D+01 -0.249588D+00
      3   0.293097D+01  0.379467D+01  0.585202D+01 -0.249588D+00  0.214356D+01
                31            32            33            34            35 
      1   0.124740D+02  0.709280D+01 -0.486408D+00  0.997083D+01 -0.537470D-01
      2   0.709280D+01  0.395889D+01 -0.162768D+00 -0.537470D-01  0.914263D+00
      3  -0.486408D+00 -0.162768D+00 -0.168875D+01  0.390293D+01 -0.192421D+01
                36            37            38            39            40 
      1   0.390293D+01 -0.579044D+02 -0.813785D+01 -0.693246D+01 -0.126771D+02
      2  -0.192421D+01 -0.813785D+01 -0.310916D+01  0.160481D+00 -0.555135D+01
      3  -0.228595D+01 -0.693246D+01  0.160481D+00 -0.763547D+00 -0.616184D-01
                41            42            43            44            45 
      1  -0.555135D+01 -0.616184D-01 -0.844389D+01  0.175722D+00 -0.327379D+01
      2  -0.300422D+01 -0.239874D+00  0.175722D+00 -0.109916D+01  0.264853D+01
      3  -0.239874D+00  0.282190D+01 -0.327379D+01  0.264853D+01  0.258023D+01
                46            47            48            49            50 
      1   0.404684D+02  0.804752D+01  0.674319D+01  0.879751D+01  0.217945D+01
      2   0.804752D+01  0.608418D+00  0.149780D+01  0.217945D+01  0.757699D+00
      3   0.674319D+01  0.149780D+01  0.162225D+00  0.248156D+01  0.131810D+00
                51            52            53            54            55 
      1   0.248156D+01  0.333558D+01  0.189101D+01  0.256517D+01 -0.332074D+02
      2   0.131810D+00  0.189101D+01  0.294763D+00 -0.106316D+01 -0.617958D+01
      3  -0.144460D+01  0.256517D+01 -0.106316D+01 -0.264761D+01 -0.615658D+01
                56            57            58            59            60 
      1  -0.617958D+01 -0.615658D+01 -0.125530D+02 -0.642631D+01 -0.173659D+01
      2  -0.199766D+01 -0.117326D+01 -0.642631D+01 -0.388090D+01 -0.216919D+01
      3  -0.117326D+01 -0.219909D+01 -0.173659D+01 -0.216919D+01 -0.552727D+00
                61            62            63            64            65 
      1  -0.179716D+02 -0.320311D+01 -0.621393D+01 -0.659692D+01  0.153681D+01
      2  -0.320311D+01 -0.130069D+01 -0.155397D+01  0.153681D+01  0.700373D+00
      3  -0.621393D+01 -0.155397D+01 -0.414782D+01 -0.345060D+01  0.413556D+01
                66            67            68            69            70 
      1  -0.345060D+01  0.132322D+01 -0.466638D+00  0.414546D+01 -0.735963D+01
      2   0.413556D+01 -0.466638D+00  0.281830D+01  0.340081D+01  0.414050D+01
      3   0.607981D-01  0.414546D+01  0.340081D+01 -0.123552D+01 -0.142026D+01
                71            72            73            74            75 
      1   0.414050D+01 -0.142026D+01 -0.676778D+01 -0.198701D+01 -0.161899D+01
      2   0.309590D+01 -0.442169D+00 -0.198701D+01  0.177805D+01 -0.367333D+00
      3  -0.442169D+00  0.157926D+01 -0.161899D+01 -0.367333D+00  0.298249D+01
                76            77            78            79            80 
      1  -0.189324D+01  0.245141D+01 -0.785261D+00  0.245533D+00 -0.241848D+00
      2   0.245141D+01  0.601644D+01  0.252329D+01 -0.241848D+00  0.218247D+01
      3  -0.785261D+00  0.252329D+01 -0.188331D+01  0.275360D+01 -0.251723D+01
                81            82            83            84            85 
      1   0.275360D+01  0.580982D+01  0.221188D+01  0.107754D+01  0.555572D+01
      2  -0.251723D+01  0.221188D+01  0.486466D+01  0.275586D+01  0.664067D+01
      3  -0.291022D+01  0.107754D+01  0.275586D+01 -0.344340D+01  0.190271D+01
                86            87            88            89            90 
      1   0.664067D+01  0.190271D+01  0.687960D+01  0.488013D+01 -0.367844D+01
      2  -0.153173D+01  0.387447D+00  0.488013D+01  0.370893D+00 -0.137228D+00
      3   0.387447D+00  0.131673D+00 -0.367844D+01 -0.137228D+00  0.462273D+00
                91            92            93            94            95 
      1   0.896016D+01  0.100696D+01 -0.303322D+01  0.234282D+01 -0.152148D+01
      2   0.100696D+01 -0.232893D+01  0.259176D-01 -0.152148D+01 -0.409867D+01
      3  -0.303322D+01  0.259176D-01 -0.258076D+01 -0.580795D+00 -0.128146D+01
                96            97            98            99           100 
      1  -0.580795D+00 -0.484938D+00 -0.339232D+00 -0.332627D+01  0.116082D+02
      2  -0.128146D+01 -0.339232D+00 -0.675745D+00  0.228950D+01  0.271317D+01
      3   0.257017D+01 -0.332627D+01  0.228950D+01  0.107274D+01  0.241353D+01
               101           102           103           104           105 
      1   0.271317D+01  0.241353D+01  0.124843D+01  0.157098D+01  0.294436D+00
      2   0.202681D+01  0.619736D+00  0.157098D+01  0.708769D+00  0.265332D+00
      3   0.619736D+00  0.139132D+01  0.294436D+00  0.265332D+00  0.388713D+00
               106           107           108           109           110 
      1   0.638998D+00  0.234910D+00  0.120327D+01 -0.373317D+00  0.557461D+00
      2   0.234910D+00 -0.112704D+00  0.686575D+00  0.557461D+00 -0.971033D+00
      3   0.120327D+01  0.686575D+00  0.108018D+01  0.110505D+01 -0.416835D+00
               111           112           113           114           115 
      1   0.110505D+01  0.221360D+00 -0.191299D+00  0.178290D-01  0.949063D+00
      2  -0.416835D+00 -0.191299D+00  0.760229D+00  0.110428D+01 -0.115805D-03
      3  -0.210715D+01  0.178290D-01  0.110428D+01  0.156270D+01 -0.275056D+00
               116           117           118           119           120 
      1  -0.115805D-03 -0.275056D+00 -0.426778D+00 -0.513663D+00 -0.796368D+00
      2   0.190772D+01  0.222048D+01 -0.513663D+00  0.326151D+00 -0.121742D+00
      3   0.222048D+01  0.776420D+01 -0.796368D+00 -0.121742D+00 -0.995214D-01
               121           122           123           124           125 
      1  -0.187207D+01  0.392773D+00 -0.484809D-01 -0.990119D+00  0.683250D-01
      2   0.392773D+00 -0.813942D+00 -0.125352D+01  0.683250D-01 -0.125529D+01
      3  -0.484809D-01 -0.125352D+01 -0.175104D+01  0.410056D+00 -0.118793D+01
               126           127           128           129           130 
      1   0.410056D+00 -0.206275D+01  0.188577D+01 -0.964718D-01  0.468701D+00
      2  -0.118793D+01  0.188577D+01 -0.425554D+01 -0.292331D+00 -0.208646D+01
      3  -0.710078D+01 -0.964718D-01 -0.292331D+00 -0.270231D+00 -0.290208D+00
               131           132           133           134           135 
      1  -0.208646D+01 -0.290208D+00  0.216320D+00 -0.640766D+00  0.185813D+00
      2   0.844352D+01  0.122530D+00 -0.640766D+00  0.155186D+01  0.121190D+01
      3   0.122530D+00  0.868276D+00  0.185813D+00  0.121190D+01  0.282003D+00
               136           137           138           139           140 
      1   0.320901D+01  0.166906D+01 -0.211070D+01 -0.147062D+00  0.884190D+00
      2   0.166906D+01  0.151567D+01 -0.148017D+01  0.884190D+00  0.234360D+01
      3  -0.211070D+01 -0.148017D+01  0.258684D+01 -0.109682D+01 -0.159522D+01
               141           142           143           144           145 
      1  -0.109682D+01 -0.428878D+01 -0.242363D+01  0.297140D+01  0.551263D+01
      2  -0.159522D+01 -0.242363D+01 -0.280825D+01  0.251516D+01 -0.248898D+01
      3   0.130450D+01  0.297140D+01  0.251516D+01 -0.474235D+01  0.338604D+01
               146           147           148           149           150 
      1  -0.248898D+01  0.338604D+01 -0.140907D+01  0.162777D+01 -0.137522D+01
      2   0.245437D+01 -0.220895D+01  0.162777D+01 -0.247422D+01  0.149561D+01
      3  -0.220895D+01  0.328477D+01 -0.137522D+01  0.149561D+01 -0.125829D+01
               151           152           153           154           155 
      1   0.239977D+01 -0.169792D+01  0.250472D+01 -0.139378D+01 -0.156589D+01
      2  -0.169792D+01  0.141014D+01 -0.195496D+01 -0.156589D+01 -0.241776D+01
      3   0.250472D+01 -0.195496D+01  0.395708D+01  0.134475D+00 -0.421128D+00
               156           157           158           159           160 
      1   0.134475D+00 -0.125667D+01 -0.150156D+01 -0.431145D+00 -0.451970D+00
      2  -0.421128D+00 -0.150156D+01 -0.682511D+01 -0.495562D+00 -0.731118D+00
      3  -0.557125D+00 -0.431145D+00 -0.495562D+00 -0.115171D+01 -0.372555D+00
               161           162           163           164           165 
      1  -0.731118D+00 -0.372555D+00 -0.365186D+01  0.697072D+00  0.218243D+01
      2  -0.253944D+01 -0.868549D+00  0.697072D+00 -0.109752D+01 -0.372749D+00
      3  -0.868549D+00 -0.851723D+00  0.218243D+01 -0.372749D+00 -0.233339D+01
               166           167           168           169           170 
      1   0.164229D+01 -0.103731D+01 -0.795309D+00  0.194975D+01 -0.665992D+00
      2  -0.103731D+01  0.724553D+00  0.385248D+00 -0.665992D+00  0.673501D+00
      3  -0.795309D+00  0.385248D+00  0.149234D+01 -0.205566D+01  0.328395D+00
               171           172           173           174           175 
      1  -0.205566D+01 -0.363735D+00 -0.784707D+00 -0.105153D+00 -0.138155D+01
      2   0.328395D+00 -0.784707D+00 -0.195386D+01 -0.123895D+01  0.349412D+00
      3   0.419884D+01 -0.105153D+00 -0.123895D+01 -0.106619D+01 -0.121194D+00
               176           177           178           179           180 
      1   0.349412D+00 -0.121194D+00 -0.172791D+00 -0.227009D+00  0.298788D+00
      2  -0.619460D+01 -0.294153D+01 -0.227009D+00 -0.280856D+01 -0.215584D+01
      3  -0.294153D+01 -0.214333D+01  0.298788D+00 -0.215584D+01 -0.268312D+01
               181           182           183           184           185 
      1   0.879250D+01 -0.303356D+01  0.174268D+01 -0.235087D+01  0.221057D+01
      2  -0.303356D+01  0.176775D+01 -0.865763D+00  0.221057D+01 -0.197979D+01
      3   0.174268D+01 -0.865763D+00  0.142976D+01 -0.801509D+00  0.231263D+00
               186           187           188           189           190 
      1  -0.801509D+00  0.527472D+01 -0.188038D+01  0.189368D+01  0.283382D+01
      2   0.231263D+00 -0.188038D+01  0.110725D+01 -0.699811D+00  0.755068D+00
      3  -0.416165D+00  0.189368D+01 -0.699811D+00  0.156697D+01 -0.134493D+01
               191           192           193           194           195 
      1   0.755068D+00 -0.134493D+01  0.205050D+01  0.838242D+00 -0.178127D+01
      2   0.622729D+00 -0.981607D+00  0.838242D+00  0.209728D+01 -0.176628D+01
      3  -0.981607D+00  0.154934D+01 -0.178127D+01 -0.176628D+01  0.243695D+01
               196           197           198           199           200 
      1  -0.177610D+01 -0.103887D+01  0.248311D+01  0.142312D+01  0.768735D+00
      2  -0.103887D+01 -0.182622D+01  0.144499D+01  0.768735D+00  0.672532D-01
      3   0.248311D+01  0.144499D+01 -0.451632D+01  0.121001D+01 -0.118714D+00
               201           202           203           204           205 
      1   0.121001D+01  0.141463D+01 -0.917765D+00  0.183008D+00  0.157832D+01
      2  -0.118714D+00 -0.917765D+00  0.717395D+00  0.109096D+01  0.339567D+00
      3  -0.422564D+00  0.183008D+00  0.109096D+01  0.158781D+01 -0.367462D+00
               206           207           208           209           210 
      1   0.339567D+00 -0.367462D+00 -0.894004D+00 -0.544583D+00 -0.962340D+00
      2   0.137417D+01  0.155242D+01 -0.544583D+00 -0.578923D-01 -0.157726D-01
      3   0.155242D+01  0.442919D+01 -0.962340D+00 -0.157726D-01  0.918656D-01
               211           212           213           214           215 
      1  -0.875645D+00  0.177903D+00 -0.383240D+00 -0.151115D+01 -0.281522D+00
      2   0.177903D+00 -0.119858D+01 -0.141942D+01 -0.281522D+00 -0.163185D+01
      3  -0.383240D+00 -0.141942D+01 -0.242152D+01 -0.209216D+00 -0.211236D+01
               216           217           218           219           220 
      1  -0.209216D+00 -0.914048D+00  0.720344D+00  0.291674D+00  0.201855D+01
      2  -0.211236D+01  0.720344D+00  0.112087D+01  0.262877D+00 -0.799260D-01
      3  -0.690459D+01  0.291674D+00  0.262877D+00  0.953032D+00 -0.650171D+00
               221           222           223           224           225 
      1  -0.799260D-01 -0.650171D+00  0.963796D+00  0.110750D+00  0.203999D+00
      2   0.729089D+01  0.164804D+01  0.110750D+00  0.561150D+00  0.773803D+00
      3   0.164804D+01  0.175004D+01  0.203999D+00  0.773803D+00  0.705798D+00
               226           227           228           229           230 
      1   0.556456D+00 -0.994933D+00  0.112426D+01 -0.127786D+01  0.692368D+00
      2  -0.994933D+00  0.115251D+01 -0.422644D+00  0.692368D+00 -0.118081D+01
      3   0.112426D+01 -0.422644D+00  0.253619D+01 -0.143083D+00  0.164770D+01
               231           232           233           234           235 
      1  -0.143083D+00  0.259857D+01 -0.431128D+00  0.773592D+00 -0.101580D+02
      2   0.164770D+01 -0.431128D+00  0.149367D+01 -0.150319D+01  0.187014D+00
      3  -0.255002D+01  0.773592D+00 -0.150319D+01  0.502030D+01  0.331761D+01
               236           237           238           239           240 
      1   0.187014D+00  0.331761D+01 -0.588490D+00 -0.101325D+01  0.270412D+00
      2  -0.107875D+01 -0.819564D-01 -0.101325D+01  0.251630D+00  0.551162D+00
      3  -0.819564D-01 -0.212153D+01  0.270412D+00  0.551162D+00 -0.550744D+00
               241           242           243 
      1   0.213682D+01  0.397815D-01 -0.149374D+01
      2   0.397815D-01  0.289123D+00 -0.281664D+00
      3  -0.149374D+01 -0.281664D+00  0.115307D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.644418D+01  0.985744D+01  0.581200D+01  0.932784D+01  0.983350D+01
      2  -0.845013D+01  0.213349D+01  0.825360D+01  0.636004D+01  0.370650D+00
      3  -0.293603D+01 -0.819349D+01  0.245241D+01 -0.628218D+00 -0.697651D+01
                 6             7             8             9            10 
      1  -0.218642D+01  0.590094D+01  0.507933D+01 -0.566820D+01  0.476383D+01
      2  -0.784246D+01  0.360908D+01 -0.771146D+01 -0.267055D+01  0.186197D+02
      3  -0.987553D+01  0.121363D+01 -0.116137D+02  0.973814D+00  0.893788D+01
                11            12            13            14            15 
      1  -0.556273D+01 -0.416646D-01 -0.677557D+01 -0.650961D+01 -0.568989D+01
      2  -0.873206D+01  0.493280D+01 -0.114756D+02 -0.394959D+01  0.574805D+00
      3  -0.187561D+01  0.791741D+01  0.810399D+01  0.132852D+02  0.104459D+02
                16            17            18            19            20 
      1   0.126939D+01  0.398785D+01 -0.331981D+00  0.228485D+01  0.330356D+01
      2   0.355516D+01  0.180140D+01  0.304074D+01 -0.268393D+02 -0.153351D+01
      3   0.960904D+01  0.109125D+02 -0.102714D+01 -0.154493D+02 -0.415055D+01
                21            22            23            24            25 
      1  -0.141944D+01  0.581359D+01  0.359319D+01 -0.274588D+01 -0.324109D+01
      2  -0.368136D+00 -0.108135D+00 -0.680571D+01  0.478957D+01 -0.158815D+02
      3  -0.340751D+01  0.623298D+01 -0.630375D+01  0.262279D+01 -0.286948D+01
                26            27            28            29            30 
      1   0.436843D+01 -0.424133D+01 -0.840615D+01  0.424166D+00 -0.376709D+00
      2   0.259406D+01  0.261508D+00  0.296076D+02  0.571509D+01 -0.810877D+00
      3   0.158412D+00 -0.196188D+01  0.165673D+02  0.852065D+01 -0.153214D+00
                31            32            33            34            35 
      1   0.648085D+01 -0.923959D+00 -0.300159D+01 -0.288181D+01  0.185245D+01
      2   0.127515D+02  0.344527D+01  0.666980D-01 -0.199279D+02 -0.166168D+01
      3   0.349608D+02  0.926210D+01  0.257135D+01 -0.650651D+00 -0.346767D+00
                36            37            38            39            40 
      1   0.356700D+01  0.842258D+01 -0.166243D+01  0.987219D+00 -0.801934D+01
      2   0.228085D+00 -0.206068D+02 -0.546802D+01  0.310877D+01 -0.123154D+02
      3   0.313482D+00 -0.229427D+02 -0.119509D+02 -0.693088D+00 -0.413850D+01
                41            42            43            44            45 
      1   0.156943D+00 -0.432520D+00  0.812655D+01  0.242666D+01 -0.853549D+00
      2  -0.370493D+01 -0.497758D+01 -0.133748D+02 -0.622994D+01 -0.117658D+02
      3  -0.368720D+01  0.206511D+01  0.156304D+01  0.290689D+01  0.347448D+01
                46            47            48            49            50 
      1  -0.700367D+01  0.998455D+01 -0.744037D+00  0.584443D+01 -0.685381D+01
      2   0.379914D+01  0.621845D+01 -0.453760D+01  0.286658D+01 -0.220571D-01
      3   0.146852D+02  0.154834D+02  0.348476D+00  0.239584D+02  0.500806D+01
                51            52            53            54            55 
      1  -0.151523D+02 -0.356491D+00 -0.315490D+01  0.994905D+01  0.390522D+01
      2  -0.142271D+01 -0.193004D+02  0.446641D+00  0.890354D+01 -0.336262D+01
      3  -0.377248D+01 -0.122298D+00  0.446731D+00 -0.725290D+00 -0.117763D+02
                56            57            58            59            60 
      1  -0.278027D+01 -0.703580D+00  0.194539D+01  0.296419D+01  0.113104D+01
      2  -0.156703D+01  0.148220D+02 -0.349790D+01  0.254774D+01  0.612219D+01
      3  -0.179240D+02 -0.214548D+01 -0.137306D+02 -0.133725D+02 -0.393896D+01
                61            62            63            64            65 
      1   0.123514D+01  0.372777D+01 -0.323906D+01 -0.462820D+01  0.521201D+01
      2   0.407508D+01  0.241625D+01  0.125219D+02 -0.161263D+02  0.155926D+02
      3  -0.560621D+01 -0.905035D+01 -0.416292D+01  0.863894D+00 -0.632621D+01
                66            67            68            69            70 
      1  -0.523758D+01  0.746356D+01  0.215264D+01 -0.750526D+01 -0.759518D+01
      2  -0.126876D+01  0.147163D+02  0.121371D+02  0.270952D+00 -0.134926D+02
      3  -0.107606D+02  0.449409D+01 -0.105813D+02 -0.180651D+02 -0.115108D+02
                71            72            73            74            75 
      1  -0.116431D+01  0.401097D+01 -0.143101D+01  0.503030D+01 -0.594073D+01
      2   0.340573D+01  0.611352D+01  0.656210D+01  0.249061D+01  0.138769D+02
      3  -0.165855D+02  0.328233D+01 -0.248304D+01 -0.127456D+02  0.785724D-01
                76            77            78            79            80 
      1   0.211229D+01  0.294155D+01  0.504672D+01 -0.459899D+01  0.972316D+01
      2   0.372612D+00  0.389373D+01 -0.584556D+01  0.563214D+01 -0.815873D+01
      3  -0.607515D+01 -0.142748D+02 -0.970085D+01  0.190182D+01 -0.863694D+01
                81            82            83            84            85 
      1   0.406983D+00 -0.348670D+01 -0.125638D+02  0.864166D+01 -0.133159D+02
      2  -0.122372D+02  0.597749D+01  0.528368D+01 -0.337749D+01  0.783887D+01
      3   0.128353D+02  0.599065D+00 -0.985244D+01 -0.411604D+01  0.325395D+01
                86            87            88            89            90 
      1   0.103795D+01 -0.402730D+01  0.874276D+01  0.273523D+01 -0.115978D-01
      2   0.627454D+01  0.203558D+01 -0.447554D+01  0.335109D+01 -0.261689D+01
      3   0.163484D+02  0.547645D+01 -0.131824D+01  0.107845D+02 -0.104481D+02
                91            92            93            94            95 
      1   0.261113D+01 -0.661991D+01  0.336797D+01  0.139440D+01 -0.709889D+01
      2   0.260951D+01 -0.163891D+01  0.182204D+02  0.113712D+00  0.914965D+01
      3   0.681117D+01 -0.108606D+02 -0.157742D+01 -0.129320D+01 -0.157785D+02
                96            97            98            99           100 
      1  -0.942006D+01 -0.367028D+00  0.297298D+01  0.385516D+01 -0.878093D+00
      2  -0.109010D+02  0.106567D+02 -0.825795D+01  0.126795D+00 -0.457676D+01
      3  -0.495787D+01 -0.147534D+01 -0.395099D+00  0.622586D+01  0.751429D+01
               101           102           103           104           105 
      1   0.192327D+01 -0.193288D+01  0.512018D+00  0.438880D-01 -0.154127D+01
      2  -0.497509D+00  0.498075D+01 -0.617119D+00 -0.538007D+00  0.123453D+01
      3  -0.617106D+01  0.118543D+01 -0.561692D+00 -0.179201D+00  0.368001D+00
               106           107           108           109           110 
      1  -0.111996D+01 -0.517353D-01 -0.749974D+00 -0.952497D+00 -0.165735D+01
      2   0.130590D+01  0.152416D+01  0.240430D+01  0.506697D+01 -0.165519D+01
      3   0.328682D+00  0.352206D+00 -0.498967D+00 -0.265040D+01  0.239570D+01
               111           112           113           114           115 
      1   0.270260D+01 -0.692253D+00 -0.815357D+00 -0.219112D+01  0.689782D+00
      2  -0.656572D+01 -0.763295D+00  0.365508D+01  0.421681D+01 -0.581491D+01
      3   0.256719D+01  0.257420D+01 -0.176917D+01 -0.276645D+01  0.218890D+01
               116           117           118           119           120 
      1   0.186734D+01 -0.803192D+01  0.903949D+00  0.394143D+00  0.577613D-01
      2   0.584405D+01  0.217989D+02 -0.226011D+01 -0.730351D+00  0.247246D+00
      3  -0.437265D+01 -0.651604D+01  0.462264D+00 -0.124174D+01 -0.281325D+00
               121           122           123           124           125 
      1   0.101132D+01  0.223979D+01  0.791022D+00 -0.249830D+00  0.476015D+01
      2  -0.196320D+01 -0.677054D+00 -0.193280D+01 -0.416508D+01 -0.100784D+01
      3   0.188923D+01  0.503628D+00  0.902366D+00 -0.122178D+00  0.505129D+00
               126           127           128           129           130 
      1   0.329472D+01 -0.645501D+00  0.355795D+01  0.211736D+01  0.198969D+01
      2  -0.634269D+01 -0.138368D+01  0.430465D+00  0.477324D+00 -0.341894D+00
      3   0.145460D+01 -0.975372D+01  0.101183D+02  0.446855D+00  0.981643D+01
               131           132           133           134           135 
      1  -0.540025D+01 -0.492477D+01  0.961389D-02 -0.243196D+01 -0.170178D+01
      2  -0.131474D+01  0.227268D+00 -0.775044D+00  0.149363D+01  0.583847D+00
      3  -0.187870D+02 -0.605920D+00  0.216681D+01 -0.430392D+01 -0.173756D+01
               136           137           138           139           140 
      1   0.344192D+01  0.168803D+01 -0.590518D+01  0.174171D+01  0.161707D+01
      2  -0.422407D+00 -0.145741D+01  0.466361D+01 -0.168898D+01 -0.224230D+01
      3   0.424340D+01 -0.156246D+01 -0.157318D+01  0.479099D+00 -0.334744D+01
               141           142           143           144           145 
      1  -0.276220D+01 -0.571708D+01 -0.105247D+01  0.985648D+01  0.188821D+01
      2   0.215578D+01  0.150253D-01  0.280047D+01 -0.644093D+01 -0.313337D+01
      3   0.478102D+00 -0.400695D+01  0.133857D+01  0.147987D+01 -0.449252D+01
               146           147           148           149           150 
      1   0.688706D+00  0.302636D+01 -0.766325D-01 -0.142677D+01 -0.153715D+01
      2  -0.700312D+00  0.298864D+01  0.169457D+01  0.409746D+00 -0.153287D+00
      3  -0.246133D+01 -0.920412D+00  0.175353D+01  0.249535D+01  0.964115D-01
               151           152           153           154           155 
      1   0.152758D+01  0.511776D+00  0.445582D+01 -0.228366D+01 -0.475259D+01
      2  -0.233464D+01 -0.501585D+00  0.382311D+01  0.260178D+01  0.193208D+01
      3  -0.289138D+01 -0.191730D+00 -0.694769D+00  0.747928D+01  0.586963D+01
               156           157           158           159           160 
      1  -0.303825D+01 -0.340317D+01 -0.108527D+02 -0.541830D+01 -0.217752D+01
      2   0.775487D-01  0.144198D+01  0.280645D+01  0.641828D-01 -0.109318D+01
      3   0.733550D+00  0.753401D+01  0.138553D+02  0.153595D+01  0.321850D+01
               161           162           163           164           165 
      1  -0.363824D+01 -0.394076D+01  0.665163D+01 -0.470573D+01 -0.458613D+01
      2   0.316328D+00 -0.167182D+00  0.129365D+02 -0.246601D+01 -0.573933D+01
      3   0.572308D+01  0.235141D+01  0.617126D+01 -0.106428D+01 -0.349034D+01
               166           167           168           169           170 
      1  -0.458470D+01  0.332676D+01  0.172921D+01 -0.507362D+01  0.377024D+01
      2  -0.559579D+01  0.260644D+01  0.328498D+01 -0.900038D+01  0.197635D+01
      3   0.393749D+00  0.822832D+00  0.113254D+01 -0.333013D+01  0.179743D+01
               171           172           173           174           175 
      1   0.729882D+01  0.537115D+00  0.447403D+00 -0.923498D+00 -0.313443D-01
      2   0.882200D+01 -0.200509D+01 -0.487523D+01 -0.268977D+01 -0.289817D+01
      3   0.347196D+01  0.472492D+01  0.643426D+01  0.419313D+01  0.332523D+01
               176           177           178           179           180 
      1   0.236419D+01 -0.266126D+01  0.675027D+00  0.138276D+01 -0.271184D+01
      2  -0.103652D+02 -0.748033D+01 -0.105318D+01 -0.761227D+01 -0.845540D+01
      3   0.203237D+02  0.102592D+02  0.230001D+01  0.102255D+02  0.718930D+01
               181           182           183           184           185 
      1   0.483995D+01 -0.215882D+01  0.358381D+01 -0.274047D+01  0.147307D+01
      2   0.121026D+02 -0.542875D+01  0.937425D+01 -0.468203D+01  0.220317D+01
      3  -0.748204D+00 -0.535463D+01  0.952104D+00 -0.265629D+01  0.497618D+01
               186           187           188           189           190 
      1  -0.181320D+01  0.311691D+01 -0.291291D+00  0.291006D+01 -0.248230D+01
      2  -0.311262D+01  0.791940D+01 -0.330616D+01  0.782973D+01 -0.174647D+01
      3   0.322073D+00  0.150873D+01 -0.267801D+01  0.233751D+00 -0.437663D+01
               191           192           193           194           195 
      1  -0.244717D+01  0.268242D+01 -0.246780D+01 -0.627402D+01  0.377391D+01
      2  -0.253284D+01  0.514645D+01 -0.289938D+01 -0.553041D+01  0.730202D+01
      3  -0.403276D+01  0.477605D+01 -0.313467D+01 -0.933876D+01  0.759053D+01
               196           197           198           199           200 
      1   0.377810D+01  0.623251D+01 -0.628939D+01 -0.231064D-01 -0.405746D+00
      2   0.426454D+01  0.414749D+01 -0.132290D+02 -0.101809D+00  0.238119D+00
      3   0.484542D+01  0.830962D+01 -0.715397D+01  0.802645D+00  0.586093D+00
               201           202           203           204           205 
      1   0.368752D+00 -0.410837D+01 -0.490397D+00 -0.223856D+01  0.154520D+01
      2  -0.172158D+00 -0.131674D+01 -0.142803D+01 -0.771156D+00 -0.332590D+01
      3   0.732999D+00  0.298933D+01  0.616016D-01  0.147833D+00  0.172888D+01
               206           207           208           209           210 
      1   0.191595D+01 -0.355614D+01  0.751290D+00 -0.356095D+00 -0.776265D-01
      2  -0.513492D-01 -0.272962D+01  0.106439D+01 -0.201321D+00  0.215119D+00
      3   0.739987D+00 -0.186760D-02 -0.165214D+01 -0.592355D+00 -0.318657D+00
               211           212           213           214           215 
      1  -0.149598D+01  0.151966D+01 -0.521035D-01  0.426139D+00  0.403841D+01
      2   0.489613D-03  0.292866D+01  0.443671D+01 -0.384852D+01  0.376527D+01
      3   0.386963D+01 -0.180840D+01 -0.267885D+01 -0.582561D+00 -0.327027D+01
               216           217           218           219           220 
      1  -0.185408D+00  0.221724D+00  0.255094D+01  0.462481D+00 -0.142323D+00
      2   0.121262D+02 -0.161387D+01 -0.249621D+01 -0.293262D+01 -0.798136D+00
      3  -0.441982D+01  0.273839D+01  0.434403D+01  0.129556D+01  0.257425D+01
               221           222           223           224           225 
      1   0.125034D+02  0.127753D+01  0.156551D+01  0.731494D+00  0.500166D+00
      2  -0.692831D+01 -0.450663D+01 -0.130002D+01 -0.254622D+01 -0.314126D+01
      3   0.257572D+02  0.565922D+01  0.159552D+01  0.154355D+01  0.268300D+01
               226           227           228           229           230 
      1  -0.120768D+01  0.256278D+01 -0.364088D+01  0.299448D+00 -0.330999D+01
      2  -0.760707D+01  0.369566D+01 -0.114369D+02  0.306045D+01 -0.789572D+01
      3  -0.283184D+01  0.264262D+01 -0.147898D+01  0.223357D+01 -0.339393D+01
               231           232           233           234           235 
      1   0.441090D+01 -0.231107D+01  0.420325D+01 -0.567798D+01 -0.135068D+01
      2   0.102149D+02 -0.784454D+01  0.639856D+01 -0.195399D+02  0.209042D+01
      3   0.596276D+01 -0.112642D+01  0.421694D+01 -0.492325D+01 -0.406795D+01
               236           237           238           239           240 
      1  -0.195261D+01  0.757799D+00 -0.885155D+00  0.100221D+00 -0.565704D-01
      2   0.338187D+00  0.571147D+01 -0.255366D+00 -0.102619D+01  0.194912D+01
      3  -0.594050D+01  0.114603D+01 -0.249860D+01  0.449367D+00  0.152587D+01
               241           242           243 
      1   0.640885D+00  0.140304D+01 -0.823788D+00
      2   0.255601D+00  0.121324D+01 -0.204809D+01
      3   0.144364D+01  0.148397D+01 -0.169763D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.854890D+01  0.516317D+01 -0.657857D+01  0.125466D+01  0.658712D+01
      2   0.299711D+01 -0.198840D+02 -0.549495D+01 -0.144163D+02 -0.177878D+02
      3  -0.115460D+02  0.147209D+02  0.120735D+02  0.131617D+02  0.112007D+02
      4   0.119605D+02 -0.556334D+01  0.234563D+02 -0.278420D+01  0.570590D+01
      5  -0.191166D+02  0.188489D+02 -0.151800D+02  0.182716D+02  0.444427D+01
      6   0.141350D+02 -0.128764D+02  0.126711D+02 -0.889307D+01 -0.417519D+01
                 6             7             8             9            10 
      1   0.207372D+02 -0.599479D+01  0.210697D+02 -0.188949D+01 -0.180635D+00
      2  -0.138857D+02 -0.777549D+01 -0.168869D+02  0.796559D+01  0.591142D+01
      3  -0.685147D+01  0.137703D+02 -0.418277D+01 -0.607610D+01 -0.573079D+01
      4  -0.630480D+01  0.240402D+02 -0.826814D+01  0.438297D+01 -0.143937D+02
      5   0.677416D+01 -0.142762D+02  0.960831D+01 -0.830691D+01  0.135454D+02
      6   0.453437D+01  0.111142D+02  0.345731D+01  0.139668D+01 -0.123753D+02
                11            12            13            14            15 
      1  -0.276077D+01  0.895448D+01 -0.598012D+01 -0.102978D+02 -0.217003D+02
      2   0.543670D+01 -0.357931D+00  0.386988D+01  0.129998D+02  0.792985D+01
      3  -0.267592D+01 -0.859655D+01  0.211024D+01 -0.270198D+01  0.137704D+02
      4   0.310741D+00 -0.216244D+02  0.271942D+01 -0.275571D+02 -0.601679D+01
      5  -0.176031D+02 -0.285445D+01 -0.191877D+02 -0.165051D+02  0.111817D+01
      6   0.860267D+01 -0.426051D+01 -0.153887D+01 -0.161364D+01 -0.690033D+01
                16            17            18            19            20 
      1   0.888170D+01 -0.209513D+02 -0.289227D+01  0.400967D+02  0.111505D+02
      2   0.565540D+01  0.109897D+02 -0.302424D+01 -0.395727D+02 -0.155796D+02
      3  -0.145371D+02  0.996161D+01  0.591651D+01 -0.524023D+00  0.442912D+01
      4  -0.307298D+02 -0.941126D+00 -0.679215D+00  0.870972D+01 -0.110369D+02
      5  -0.515673D+01  0.812284D+00  0.268885D+01  0.167104D+02  0.525724D+01
      6  -0.484519D+01 -0.411013D+01  0.142546D+01  0.102267D+02 -0.389607D+00
                21            22            23            24            25 
      1   0.420558D+01  0.201407D+02  0.688539D+01  0.746938D+01 -0.130500D+01
      2  -0.370814D+01 -0.192622D+02 -0.125896D+02  0.280446D+01 -0.452255D+01
      3  -0.497440D+00 -0.878479D+00  0.570420D+01 -0.102738D+02  0.582755D+01
      4   0.595362D+01 -0.307843D+02 -0.486789D+01 -0.329486D+01  0.139908D+02
      5   0.427099D+01  0.557576D+01  0.571062D+01  0.485567D+01  0.300243D+01
      6   0.350934D+01  0.763997D+01  0.702188D+01  0.425104D+00  0.317833D+01
                26            27            28            29            30 
      1   0.923102D+01  0.145565D+02 -0.122138D+03 -0.129518D+02 -0.639224D+01
      2  -0.154166D+01  0.657692D+01  0.835710D+02  0.817406D+01  0.654962D+01
      3  -0.768935D+01 -0.211334D+02  0.385667D+02  0.477776D+01 -0.157379D+00
      4  -0.550883D+01  0.921705D+01 -0.141116D+02 -0.114652D+02  0.516083D+00
      5   0.536041D+01  0.595800D+01 -0.386482D+02 -0.197184D+01 -0.131695D+02
      6  -0.408599D+00 -0.206944D+01 -0.170958D+02 -0.630240D+01  0.257386D+00
                31            32            33            34            35 
      1  -0.356392D+02 -0.251138D+02  0.317408D+01 -0.305218D+02 -0.310115D+00
      2   0.260161D+02  0.222909D+02 -0.292423D+01  0.181480D+02 -0.199721D+01
      3   0.962303D+01  0.282288D+01 -0.249850D+00  0.123738D+02  0.230733D+01
      4  -0.974024D+01 -0.106945D+02  0.161523D+01 -0.670461D+01  0.143802D+01
      5  -0.100075D+02 -0.455250D+01 -0.167100D+00 -0.115437D+02  0.222014D+01
      6  -0.549861D+01 -0.932483D+01  0.458157D+01 -0.184209D+01  0.856721D+00
                36            37            38            39            40 
      1  -0.109835D+02  0.175766D+03  0.293360D+02  0.207622D+02  0.305562D+02
      2   0.124138D+01 -0.108242D+03 -0.177185D+02 -0.140255D+02 -0.160923D+02
      3   0.974213D+01 -0.675242D+02 -0.116175D+02 -0.673670D+01 -0.144638D+02
      4   0.143762D+01  0.329870D+02  0.189191D+02 -0.463541D+00  0.316807D+02
      5   0.192139D+01  0.596805D+02  0.392761D+01  0.128922D+02  0.441353D+01
      6  -0.498604D+01  0.193428D+02  0.631025D+01 -0.112156D+00  0.101859D+02
                41            42            43            44            45 
      1   0.587452D+01  0.930480D+01  0.789779D+01  0.853692D+01  0.126361D+02
      2   0.173125D+01  0.158130D+01 -0.109914D+02 -0.280278D+01 -0.166584D+01
      3  -0.760577D+01 -0.108861D+02  0.309365D+01 -0.573414D+01 -0.109703D+02
      4   0.717113D+01  0.291618D+01 -0.817802D+01 -0.239043D+01 -0.984575D+01
      5   0.302711D+01 -0.113028D+02  0.160052D+02 -0.876820D+01 -0.114129D+02
      6   0.104375D+01  0.400521D+01 -0.307122D+00  0.245525D+01 -0.972263D+01
                46            47            48            49            50 
      1  -0.163560D+03 -0.314998D+02 -0.389974D+02 -0.463530D+02 -0.175661D+02
      2   0.910390D+02  0.149835D+02  0.207734D+02  0.246048D+02  0.119054D+02
      3   0.725211D+02  0.165163D+02  0.182240D+02  0.217482D+02  0.566066D+01
      4  -0.528444D+02 -0.252273D+02 -0.986096D+01 -0.118531D+02 -0.891255D+01
      5  -0.750247D+02 -0.138612D+02 -0.238125D+02 -0.274767D+02 -0.257493D+01
      6  -0.193731D+02 -0.222535D+01 -0.559144D+01  0.359369D+00 -0.525270D+01
                51            52            53            54            55 
      1  -0.121045D+02 -0.339397D+02 -0.109404D+02 -0.181197D+02  0.176602D+03
      2   0.100788D+02  0.103830D+02  0.416104D+00  0.144432D+02 -0.929067D+02
      3   0.202563D+01  0.235567D+02  0.105243D+02  0.367652D+01 -0.836953D+02
      4  -0.100025D+01 -0.197215D+02  0.150866D+01  0.458974D+01  0.465209D+02
      5   0.485497D+01 -0.249682D+02  0.523513D+01  0.177711D+02  0.704547D+02
      6   0.194390D+01  0.334365D+01 -0.488145D+01 -0.430922D+01  0.104977D+02
                56            57            58            59            60 
      1   0.311726D+02  0.397553D+02  0.531351D+02  0.286665D+02  0.631846D+01
      2  -0.121623D+02 -0.249450D+02 -0.230742D+02 -0.657435D+01 -0.178359D+01
      3  -0.190104D+02 -0.148102D+02 -0.300610D+02 -0.220921D+02 -0.453487D+01
      4   0.325369D+02  0.100047D+02  0.534736D+02  0.338932D+02  0.173073D+02
      5   0.120904D+02  0.367500D+02  0.207879D+02  0.188896D+02  0.879652D+01
      6   0.578688D+01  0.461519D+01  0.103664D+02  0.853766D+01  0.961789D+01
                61            62            63            64            65 
      1   0.802242D+02  0.115247D+02  0.287187D+02 -0.305444D+02  0.170976D+02
      2  -0.493995D+02 -0.481277D+01 -0.256319D+02  0.943475D+01 -0.578898D+01
      3  -0.308247D+02 -0.671190D+01 -0.308672D+01  0.211097D+02 -0.113086D+02
      4   0.224069D+02  0.129363D+02  0.118791D+02  0.176623D+02 -0.109050D+01
      5   0.656461D+02  0.139023D+02  0.400770D+02 -0.207975D+02  0.250296D+02
      6   0.102158D+02  0.102616D+02  0.561603D+01  0.110807D+02 -0.116044D+02
                66            67            68            69            70 
      1  -0.164656D+02  0.988065D+01  0.106171D+02  0.347973D+02 -0.258358D+02
      2  -0.774605D+00  0.114023D+01 -0.705297D+01 -0.263044D+02  0.169216D+01
      3   0.172402D+02 -0.110209D+02 -0.356415D+01 -0.849283D+01  0.241436D+02
      4   0.301626D+02 -0.626019D+01  0.109711D+02  0.108938D+02  0.357639D+02
      5  -0.974225D-01  0.258712D+02  0.162671D+02 -0.129678D+02 -0.456108D+01
      6  -0.501738D+01 -0.765632D+01 -0.125451D+02 -0.677873D+01 -0.307041D+01
                71            72            73            74            75 
      1   0.359106D+02 -0.557602D+01 -0.500811D+02 -0.181131D+02 -0.142960D+02
      2  -0.268561D+02  0.612799D+01  0.212746D+02  0.816960D+01 -0.220302D+01
      3  -0.905458D+01 -0.551968D+00  0.288065D+02  0.994352D+01  0.164990D+02
      4   0.777506D+01 -0.459147D+01 -0.246059D+02  0.364982D+00 -0.316389D+01
      5  -0.911536D+01  0.100848D+02 -0.171193D+02 -0.373340D+01  0.101594D+02
      6  -0.761400D+01  0.385924D-01 -0.329999D+01 -0.292687D+01  0.905006D+01
                76            77            78            79            80 
      1  -0.146463D+02  0.845595D+01 -0.320735D+01 -0.370725D+01 -0.141325D+01
      2   0.111747D+02 -0.134296D+01  0.113540D+02 -0.567195D+01  0.799192D+01
      3   0.347156D+01 -0.711299D+01 -0.814664D+01  0.937920D+01 -0.657867D+01
      4   0.898855D+01  0.296697D+02  0.109579D+02 -0.134917D+00  0.353261D+01
      5  -0.596664D+01  0.183241D+02 -0.888990D+01  0.131173D+02 -0.878361D+01
      6   0.403559D+01  0.103841D+02 -0.209771D+01  0.737469D+01 -0.421736D+01
                81            82            83            84            85 
      1   0.240865D+02 -0.821055D+01 -0.129034D+02 -0.867397D+01 -0.147608D+02
      2  -0.531930D+01  0.138158D+02  0.302233D+02  0.109550D+02  0.272831D+02
      3  -0.187672D+02 -0.560526D+01 -0.173199D+02 -0.228104D+01 -0.125224D+02
      4  -0.424473D+01  0.617635D+01  0.925663D+01  0.969014D+01  0.200683D+02
      5  -0.848804D+01  0.140452D+01  0.962184D+01 -0.179949D+02  0.751976D+01
      6  -0.102807D+02  0.917797D+00  0.930912D+01 -0.161305D+02  0.234508D+01
                86            87            88            89            90 
      1   0.130371D+02  0.682818D+01 -0.247124D+02  0.825026D+01 -0.125631D+02
      2  -0.140391D+02 -0.612914D+01  0.251223D+02 -0.643817D+01  0.937820D+01
      3   0.100204D+01 -0.699033D+00 -0.409831D+00 -0.181208D+01  0.318491D+01
      4   0.118275D+02  0.587030D+01  0.159527D+02  0.119394D+02 -0.108825D+02
      5  -0.287556D+01 -0.375917D+00 -0.256327D+02 -0.638850D+01  0.574874D+01
      6  -0.480377D+01 -0.172453D+01 -0.198667D+02 -0.378996D+01  0.659664D+01
                91            92            93            94            95 
      1  -0.577523D+02 -0.349852D+01  0.345325D+02 -0.119009D+02  0.245269D+02
      2   0.359729D+02 -0.409048D+01 -0.101889D+02  0.372327D+01 -0.193391D+02
      3   0.217794D+02  0.758900D+01 -0.243436D+02  0.817765D+01 -0.518775D+01
      4  -0.225950D+01  0.160414D+02 -0.311180D-01  0.107753D+02  0.241991D+02
      5   0.318002D+02  0.193633D+01  0.866951D+01  0.700364D+01  0.336007D+01
      6   0.216958D+01 -0.774951D+01  0.139695D+01 -0.510681D+01 -0.108598D+02
                96            97            98            99           100 
      1  -0.281760D+01  0.183490D+02 -0.517189D+01  0.163901D+02  0.849846D+02
      2  -0.105835D+02 -0.244139D+01 -0.340134D+01 -0.897787D+01 -0.409376D+02
      3   0.134011D+02 -0.159076D+02  0.857323D+01 -0.741222D+01 -0.440470D+02
      4   0.632969D+01  0.322350D+01  0.191716D+01 -0.148346D+02  0.373630D+02
      5  -0.140384D+02  0.162104D+02 -0.127588D+02 -0.139058D+02  0.260778D+02
      6  -0.404001D+01 -0.119071D+01  0.172742D+01  0.114601D+02  0.801289D+01
               101           102           103           104           105 
      1   0.162075D+02  0.139447D+02  0.721994D+01  0.787259D+01  0.127878D+01
      2  -0.428665D+01 -0.836552D+01 -0.153555D+00  0.220769D+00 -0.126381D+01
      3  -0.119208D+02 -0.557916D+01 -0.706639D+01 -0.809336D+01 -0.149657D-01
      4   0.208153D+02  0.788083D+01  0.166856D+02  0.815056D+01  0.300781D+01
      5   0.661798D+01  0.145888D+02  0.350297D+01  0.245489D+01  0.264821D+01
      6   0.457992D+01  0.417222D+01  0.338868D+01  0.621991D+00  0.306076D+01
               106           107           108           109           110 
      1   0.378647D+01  0.112852D+01  0.556820D+01  0.474187D+00  0.599657D+01
      2  -0.326319D+01 -0.252841D+01 -0.502941D+01 -0.251911D+01 -0.350830D+01
      3  -0.523280D+00  0.139989D+01 -0.538796D+00  0.204492D+01 -0.248827D+01
      4   0.272846D+01  0.304067D+00  0.570517D+01  0.210617D+01 -0.178166D+01
      5   0.123326D+02  0.463957D+01  0.707209D+01  0.320109D+01  0.591937D-01
      6   0.337867D+01  0.284700D+01  0.348842D+01  0.399861D+01 -0.337564D+01
               111           112           113           114           115 
      1   0.110584D+02  0.265207D+01 -0.785297D+01 -0.536901D+01  0.725017D+01
      2  -0.201518D+00 -0.193863D+01  0.330050D+01  0.193945D+01 -0.319353D+01
      3  -0.108569D+02 -0.713438D+00  0.455247D+01  0.342956D+01 -0.405665D+01
      4   0.131068D+01  0.175867D+01  0.177166D+01  0.402853D+01  0.330484D+01
      5  -0.372266D+01  0.145556D+01  0.287815D+01  0.603289D+01  0.449005D+01
      6  -0.626582D+01 -0.102584D+01  0.636401D+01  0.113680D+02  0.192276D+00
               116           117           118           119           120 
      1  -0.787389D+01 -0.249066D+02  0.686534D+00 -0.204790D+00 -0.222902D+01
      2   0.137165D+01 -0.892874D+01 -0.458729D+01  0.119014D-01 -0.161872D+00
      3   0.650224D+01  0.338353D+02  0.390075D+01  0.192888D+00  0.239089D+01
      4   0.795905D+01  0.804973D+01 -0.138228D+01  0.295628D+01  0.448037D+00
      5   0.939972D+01  0.300357D+02 -0.651392D+00  0.144022D+01  0.681915D+01
      6   0.119535D+02  0.230604D+02  0.153507D+01  0.225888D+00 -0.339554D-01
               121           122           123           124           125 
      1   0.673949D+00 -0.687738D+01 -0.550043D+01 -0.138576D+01 -0.274268D+01
      2  -0.454252D+00  0.208032D+01 -0.241188D+01  0.148099D+01 -0.271574D+01
      3  -0.219697D+00  0.479705D+01  0.791231D+01 -0.952278D-01  0.545842D+01
      4   0.234926D+01 -0.269383D+01 -0.243064D+01 -0.312990D-02 -0.283130D+01
      5   0.193224D+01 -0.258153D+01 -0.351943D+01  0.535873D+01 -0.257986D+01
      6  -0.241465D+00  0.238087D+01  0.703900D+01 -0.644309D+00  0.582198D+01
               126           127           128           129           130 
      1  -0.246775D+02 -0.844547D+01  0.196602D+02  0.868491D+00  0.112612D+02
      2  -0.130289D+02  0.111578D+02 -0.279689D+02 -0.168923D+01 -0.147396D+02
      3   0.377065D+02 -0.271229D+01  0.830875D+01  0.820734D+00  0.347842D+01
      4  -0.443306D+01 -0.503296D+01  0.273851D+01 -0.715429D+00  0.585749D+01
      5  -0.126632D+02  0.442543D+00 -0.110487D+01  0.176918D+01 -0.978845D+00
      6   0.225997D+01  0.166299D+00 -0.102183D+00 -0.202302D+01  0.231494D+00
               131           132           133           134           135 
      1  -0.366200D+02 -0.693072D+00  0.422491D+01 -0.643399D+01 -0.433771D+01
      2   0.567499D+02  0.200183D+01 -0.394122D+01  0.100530D+02  0.528857D+01
      3  -0.201300D+02 -0.130876D+01 -0.283698D+00 -0.361904D+01 -0.950864D+00
      4   0.855254D+01 -0.311626D+00  0.314343D+00  0.144117D+01  0.218330D+01
      5   0.534418D+00  0.216239D+01  0.364704D+01  0.274027D+01 -0.204611D-01
      6  -0.578190D+00  0.733703D+01  0.549408D+00  0.870455D+01  0.162629D+01
               136           137           138           139           140 
      1   0.114503D+02  0.147315D+01 -0.254588D+01  0.296008D+01 -0.575961D+01
      2  -0.481310D+01  0.161512D+01  0.777456D+00 -0.493534D+00  0.971733D+01
      3  -0.663716D+01 -0.308826D+01  0.176843D+01 -0.246655D+01 -0.395771D+01
      4   0.177109D+02  0.140698D+02 -0.118392D+02  0.103737D+02  0.121489D+02
      5  -0.177272D+02 -0.100801D+02  0.181142D+02 -0.589540D+01 -0.918597D+01
      6  -0.109118D+02 -0.917895D+01  0.125232D+02 -0.681995D+01 -0.107447D+02
               141           142           143           144           145 
      1   0.282538D+01  0.211660D+00  0.610401D+01 -0.601037D+01  0.155057D+02
      2  -0.433821D+01 -0.875036D+00 -0.687523D+01 -0.252592D+01 -0.108173D+02
      3   0.151283D+01  0.663375D+00  0.771211D+00  0.853629D+01 -0.468834D+01
      4  -0.959247D+01 -0.168450D+02 -0.156174D+02  0.159550D+02 -0.254861D+02
      5   0.796979D+01  0.212927D+02  0.144073D+02 -0.259486D+02  0.279174D+02
      6   0.101903D+02  0.157932D+02  0.170329D+02 -0.235609D+02 -0.139558D+02
               146           147           148           149           150 
      1  -0.155455D+01  0.269332D+01 -0.768472D+00 -0.326533D+01  0.167464D+01
      2  -0.646066D+00 -0.645083D+01 -0.836634D+00  0.723756D+01 -0.135519D+01
      3   0.220061D+01  0.375751D+01  0.160511D+01 -0.397223D+01 -0.319452D+00
      4   0.191377D+02 -0.170923D+02  0.139431D+02 -0.144217D+02  0.104779D+02
      5  -0.146012D+02  0.242207D+02 -0.936111D+01  0.942454D+01 -0.867008D+01
      6   0.130688D+02 -0.145422D+02  0.927696D+01 -0.110454D+02  0.104481D+02
               151           152           153           154           155 
      1   0.340461D+01  0.197175D+01 -0.334114D+01 -0.658742D+01 -0.111434D+02
      2  -0.622631D+01  0.341299D+00 -0.799313D+01  0.827845D+01  0.169439D+02
      3   0.282170D+01 -0.231305D+01  0.113343D+02 -0.169103D+01 -0.580044D+01
      4  -0.141872D+02  0.106854D+02 -0.139914D+02  0.212082D+01  0.331190D+01
      5   0.206087D+02 -0.119821D+02  0.235029D+02 -0.114466D+01 -0.452105D+01
      6  -0.116392D+02  0.118359D+02 -0.168224D+02 -0.159784D+01 -0.176981D+01
               156           157           158           159           160 
      1   0.999896D+00 -0.706049D+01 -0.253439D+02 -0.158468D+01 -0.192489D+01
      2   0.224611D+01  0.108541D+02  0.424869D+02  0.591977D+01  0.364035D+01
      3  -0.324601D+01 -0.379362D+01 -0.171431D+02 -0.433509D+01 -0.171546D+01
      4  -0.121157D+01  0.480914D+01 -0.907068D+01  0.664771D+00  0.241819D-02
      5   0.895497D+00 -0.461585D+01 -0.523474D+01 -0.390715D+01  0.611935D+00
      6   0.197818D+01 -0.390284D+00 -0.602612D+01  0.606545D+01  0.489326D+00
               161           162           163           164           165 
      1  -0.917627D+01 -0.350043D+01 -0.761781D+01 -0.229139D+01  0.109694D+02
      2   0.150240D+02  0.490795D+01 -0.509430D+01  0.606065D+01  0.458240D+01
      3  -0.584770D+01 -0.140752D+01  0.127121D+02 -0.376927D+01 -0.155518D+02
      4  -0.365723D+01 -0.912306D+00  0.688320D+01 -0.130435D+01 -0.610545D+01
      5  -0.355498D+01 -0.219102D+01 -0.444469D+01 -0.815572D+00  0.360617D+01
      6   0.385420D+01  0.396798D+01 -0.245502D+01 -0.239553D+01  0.380540D+01
               166           167           168           169           170 
      1   0.182171D+01 -0.292066D+01 -0.634717D+01  0.863643D+01 -0.236595D+01
      2   0.393873D+01 -0.137057D+00 -0.211445D+01  0.487011D+01 -0.181738D+01
      3  -0.576044D+01  0.305772D+01  0.846162D+01 -0.135065D+02  0.418334D+01
      4  -0.262459D+01  0.302183D+01  0.195843D+01 -0.715971D+01  0.232264D+01
      5   0.113514D+00 -0.983251D+00  0.190723D+01  0.540612D+01 -0.133063D+01
      6  -0.205419D+01  0.314789D+01  0.110379D+01  0.172368D+01  0.373624D+01
               171           172           173           174           175 
      1  -0.157840D+02 -0.352002D+01 -0.130510D+02 -0.548707D+01 -0.945781D+01
      2  -0.947883D+01  0.356506D+01  0.104978D+02  0.308153D+01  0.386958D+01
      3   0.252628D+02 -0.450415D-01  0.255320D+01  0.240554D+01  0.558823D+01
      4   0.480716D+01 -0.140538D+01 -0.388500D+01 -0.445059D+01  0.769936D+01
      5   0.197188D+01  0.205664D+01 -0.361732D+01 -0.252528D+01  0.193978D+01
      6  -0.647555D+01  0.185854D+01  0.693378D+01  0.526948D+01 -0.251788D+00
               176           177           178           179           180 
      1  -0.234467D+02 -0.142557D+02 -0.226353D+01 -0.146842D+02 -0.106375D+02
      2   0.273780D+02  0.104566D+02  0.187978D+01  0.103023D+02  0.358947D+01
      3  -0.393134D+01  0.379915D+01  0.383755D+00  0.438191D+01  0.704799D+01
      4  -0.297365D+02 -0.139479D+02  0.127806D+00 -0.135956D+02 -0.980760D+01
      5  -0.141055D+02 -0.105343D+02  0.462936D+01 -0.980751D+01 -0.136261D+02
      6   0.214129D+02  0.154495D+02 -0.121016D+00  0.152635D+02  0.137199D+02
               181           182           183           184           185 
      1   0.719522D+02 -0.196596D+02  0.141985D+02 -0.171764D+02  0.939178D+01
      2  -0.289078D+02  0.379001D+01 -0.399758D+01  0.178684D+01  0.136134D+01
      3  -0.430444D+02  0.158696D+02 -0.102010D+02  0.153895D+02 -0.107531D+02
      4  -0.379243D+02  0.208157D+02 -0.906920D+01  0.229656D+02 -0.176484D+02
      5   0.899724D+01 -0.441313D+01  0.125543D+02 -0.414659D+01  0.147830D+01
      6  -0.364238D+01  0.167261D+01 -0.372872D+01  0.149947D+01  0.547556D-01
               186           187           188           189           190 
      1  -0.571961D+01  0.306108D+02 -0.102265D+02  0.120997D+02  0.192889D+02
      2   0.159055D+01 -0.106265D+02  0.229677D+01 -0.551081D+01 -0.135947D+02
      3   0.412906D+01 -0.199844D+02  0.792974D+01 -0.658891D+01 -0.569416D+01
      4   0.420010D+01 -0.201428D+02  0.116011D+02 -0.760311D+01  0.250753D+01
      5  -0.282730D+01  0.140647D+02 -0.448668D+01  0.121798D+02 -0.141133D+02
      6   0.372958D+01 -0.472660D+01  0.376655D+01 -0.499829D+01 -0.136240D+01
               191           192           193           194           195 
      1   0.468007D+01 -0.904453D+01  0.137447D+02  0.357655D+01 -0.932693D+01
      2  -0.487328D+01  0.104501D+02 -0.111490D+02 -0.536036D+01  0.127232D+02
      3   0.193215D+00 -0.140559D+01 -0.259569D+01  0.178381D+01 -0.339623D+01
      4   0.599140D+01 -0.598021D+01  0.625946D+01  0.137487D+02 -0.980541D+01
      5  -0.839017D+01  0.155425D+02 -0.150751D+02 -0.119579D+02  0.180073D+02
      6  -0.159908D+00  0.224246D+00 -0.356726D+00 -0.363142D+01  0.325200D+01
               196           197           198           199           200 
      1  -0.111980D+02 -0.667411D+01  0.802184D+01 -0.889395D+00 -0.155859D+01
      2   0.138028D+02  0.101164D+02 -0.193567D+02  0.184219D+01  0.139385D+01
      3  -0.260480D+01 -0.344231D+01  0.113349D+02 -0.952795D+00  0.164748D+00
      4  -0.586311D+01 -0.105153D+02  0.739343D+01 -0.919078D+00  0.116936D+01
      5   0.220691D+02  0.110564D+02 -0.330192D+02 -0.296120D+01  0.105337D+01
      6  -0.506419D+00  0.491469D+01  0.654347D+00  0.735702D+00  0.653946D-01
               201           202           203           204           205 
      1  -0.192578D+01 -0.157126D+01 -0.113670D+01 -0.439328D+01 -0.285986D+01
      2   0.160409D+01 -0.167284D+01  0.124099D+01  0.239687D+01  0.234148D+01
      3   0.321699D+00  0.324410D+01 -0.104290D+00  0.199641D+01  0.518374D+00
      4   0.183510D+01  0.955642D+00 -0.107507D+01 -0.220506D+01  0.255634D+01
      5   0.354547D+01  0.893215D+00 -0.733181D+00 -0.220091D+01  0.378596D+01
      6  -0.319028D+00 -0.720976D+00  0.360599D+01  0.332683D+01  0.443306D-01
               206           207           208           209           210 
      1  -0.481349D+01 -0.809930D+01  0.113129D+00  0.139742D+01  0.318618D+01
      2   0.373103D+01  0.134899D+01 -0.229430D+01 -0.751987D+00 -0.905457D+00
      3   0.108246D+01  0.675031D+01  0.218117D+01 -0.645429D+00 -0.228072D+01
      4  -0.204714D+01 -0.413866D+01  0.169758D+01  0.190118D+01  0.180277D+01
      5  -0.332343D+01 -0.701639D+01  0.316900D+01  0.214303D+01  0.608951D+01
      6   0.445025D+01  0.685145D+01  0.218326D+01 -0.151849D+00  0.467448D+00
               211           212           213           214           215 
      1   0.210951D+01 -0.646040D+01 -0.821849D+01  0.294628D+01 -0.780461D+01
      2  -0.309951D+01  0.173069D+01 -0.172782D+00 -0.252551D+01  0.924320D+00
      3   0.990001D+00  0.472972D+01  0.839127D+01 -0.420768D+00  0.688029D+01
      4  -0.541045D+00  0.337222D+01  0.391020D+01  0.231075D+01  0.416949D+01
      5   0.303972D+01  0.474801D+01  0.852909D+01  0.461127D+01  0.676291D+01
      6  -0.770991D+00  0.546651D+01  0.663415D+01  0.149697D+01  0.786043D+01
               216           217           218           219           220 
      1  -0.241656D+02  0.277752D+01 -0.869691D+01 -0.622701D+01 -0.101436D+02
      2  -0.651990D+01  0.264340D+00  0.682240D+01  0.167095D+01  0.544965D+01
      3   0.306855D+02 -0.304186D+01  0.187451D+01  0.455605D+01  0.469398D+01
      4   0.564633D+01 -0.339487D+01 -0.322529D+01 -0.104643D+01  0.571743D+01
      5   0.222663D+02 -0.154360D+01  0.649372D+00 -0.363303D+01  0.693932D+01
      6   0.952890D+01  0.216167D+01  0.391414D+01  0.172516D+01 -0.108129D+01
               221           222           223           224           225 
      1  -0.215430D+02 -0.389552D+01 -0.453562D+01 -0.300351D+01 -0.723317D+01
      2   0.286467D+02  0.255617D+01  0.193108D+01  0.106541D+00  0.284086D+01
      3  -0.710366D+01  0.133936D+01  0.260454D+01  0.289697D+01  0.439231D+01
      4  -0.441442D+02 -0.104249D+02 -0.972346D+00 -0.308546D+01 -0.411507D+01
      5  -0.783873D+01 -0.108584D+02  0.298845D+00 -0.399908D+01 -0.317733D+01
      6   0.201557D+02  0.991271D+01  0.422126D-01  0.691036D+01  0.269701D+01
               226           227           228           229           230 
      1  -0.570305D+01  0.689410D+01 -0.166827D+02  0.814654D+01 -0.123587D+02
      2  -0.102674D+01 -0.140588D+01  0.199273D+00 -0.362767D+01  0.459605D+01
      3   0.672979D+01 -0.548822D+01  0.164835D+02 -0.451887D+01  0.776264D+01
      4   0.413228D+01 -0.572689D+01  0.158988D+01 -0.218118D+01  0.534606D+01
      5  -0.123693D+01 -0.299097D+00 -0.831077D+01 -0.307008D+01 -0.667975D+01
      6  -0.298730D+01  0.458147D+01 -0.262397D+01  0.240330D+01 -0.593599D+01
               231           232           233           234           235 
      1   0.913706D+01 -0.163832D+02  0.770249D+01 -0.234319D+02  0.855383D+02
      2   0.335836D+01  0.523441D+01  0.156424D+01 -0.719103D+01 -0.480884D+02
      3  -0.124954D+02  0.111487D+02 -0.926673D+01  0.306229D+02 -0.374499D+02
      4  -0.857259D+01  0.312741D+01 -0.848120D+01  0.798320D+01 -0.766934D+01
      5   0.127227D+02  0.139159D+01  0.641452D+01 -0.228262D+02 -0.453287D+02
      6   0.906070D+01 -0.184407D+01  0.691248D+01 -0.671272D+01  0.342643D-01
               236           237           238           239           240 
      1  -0.862495D+00 -0.231170D+02  0.516189D+01  0.653140D+01 -0.119339D+01
      2  -0.197164D+00  0.168471D+02 -0.322213D+01 -0.237089D+01  0.213937D+01
      3   0.105966D+01  0.626997D+01 -0.193977D+01 -0.416051D+01 -0.945976D+00
      4   0.117799D+02  0.217621D+01  0.111048D+02 -0.161861D+01 -0.463131D+01
      5   0.509725D+00  0.252170D+02 -0.347818D+01 -0.573252D+01  0.388040D+01
      6  -0.384253D+01 -0.101675D+01 -0.372541D+01  0.511786D+00  0.285917D+01
               241           242           243 
      1  -0.135895D+02  0.374434D+00  0.980247D+01
      2   0.115387D+02  0.662612D+00 -0.979570D+01
      3   0.205084D+01 -0.103705D+01 -0.677105D-02
      4   0.791726D+00 -0.259110D+01  0.849792D+00
      5   0.189748D+02  0.142856D+01 -0.130769D+02
      6  -0.122409D+01  0.220871D+01 -0.277548D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 23:27:35 2021, MaxMem=  5368709120 cpu:           59059.9 elap:            7389.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.45986 -10.52875 -10.46605 -10.45678 -10.44947
 Alpha  occ. eigenvalues --  -10.44599 -10.44274 -10.43905 -10.43718 -10.43250
 Alpha  occ. eigenvalues --  -10.43000  -1.17895  -1.02102  -0.94629  -0.89377
 Alpha  occ. eigenvalues --   -0.87456  -0.83207  -0.81565  -0.75271  -0.72914
 Alpha  occ. eigenvalues --   -0.66802  -0.64261  -0.61088  -0.59821  -0.58031
 Alpha  occ. eigenvalues --   -0.56959  -0.56232  -0.55485  -0.53603  -0.52140
 Alpha  occ. eigenvalues --   -0.50848  -0.50502  -0.49407  -0.47990  -0.47699
 Alpha  occ. eigenvalues --   -0.46857  -0.45671  -0.42554  -0.41468  -0.40302
 Alpha  occ. eigenvalues --   -0.36286  -0.35992
 Alpha virt. eigenvalues --   -0.01642  -0.00861  -0.00643  -0.00264   0.00953
 Alpha virt. eigenvalues --    0.00996   0.01341   0.01635   0.01702   0.02345
 Alpha virt. eigenvalues --    0.03077   0.03479   0.03953   0.04401   0.04663
 Alpha virt. eigenvalues --    0.05465   0.06295   0.06401   0.06814   0.07418
 Alpha virt. eigenvalues --    0.09000   0.09408   0.10060   0.10118   0.10661
 Alpha virt. eigenvalues --    0.10974   0.11088   0.11670   0.11808   0.12333
 Alpha virt. eigenvalues --    0.12616   0.12811   0.13201   0.13606   0.13692
 Alpha virt. eigenvalues --    0.13958   0.14067   0.14561   0.15016   0.15187
 Alpha virt. eigenvalues --    0.16062   0.16439   0.16515   0.16918   0.17204
 Alpha virt. eigenvalues --    0.17792   0.18237   0.19467   0.19926   0.20021
 Alpha virt. eigenvalues --    0.21066   0.21370   0.22014   0.22427   0.23279
 Alpha virt. eigenvalues --    0.23689   0.24411   0.25565   0.26067   0.26789
 Alpha virt. eigenvalues --    0.27350   0.27610   0.28060   0.28281   0.29037
 Alpha virt. eigenvalues --    0.29362   0.29537   0.30668   0.30985   0.31749
 Alpha virt. eigenvalues --    0.32246   0.32924   0.33271   0.33528   0.34066
 Alpha virt. eigenvalues --    0.34778   0.35178   0.35868   0.36139   0.36692
 Alpha virt. eigenvalues --    0.37609   0.37944   0.37990   0.38483   0.38841
 Alpha virt. eigenvalues --    0.39436   0.40470   0.40916   0.41218   0.41471
 Alpha virt. eigenvalues --    0.41847   0.42445   0.42774   0.42888   0.43951
 Alpha virt. eigenvalues --    0.44227   0.44322   0.45263   0.45707   0.46767
 Alpha virt. eigenvalues --    0.46934   0.47894   0.48352   0.48516   0.49172
 Alpha virt. eigenvalues --    0.49877   0.50651   0.51090   0.51690   0.52420
 Alpha virt. eigenvalues --    0.52640   0.53067   0.53265   0.54227   0.54391
 Alpha virt. eigenvalues --    0.55372   0.56155   0.56257   0.56808   0.57843
 Alpha virt. eigenvalues --    0.58246   0.58518   0.59056   0.59209   0.59496
 Alpha virt. eigenvalues --    0.60032   0.60679   0.61173   0.61802   0.62071
 Alpha virt. eigenvalues --    0.62206   0.62407   0.63201   0.64057   0.64799
 Alpha virt. eigenvalues --    0.64995   0.65710   0.66207   0.66480   0.67408
 Alpha virt. eigenvalues --    0.68061   0.68933   0.69081   0.69545   0.70186
 Alpha virt. eigenvalues --    0.70384   0.71183   0.71925   0.72422   0.73321
 Alpha virt. eigenvalues --    0.73610   0.74064   0.74266   0.74841   0.75405
 Alpha virt. eigenvalues --    0.75912   0.76109   0.76735   0.77535   0.78394
 Alpha virt. eigenvalues --    0.78863   0.79218   0.80251   0.81291   0.81592
 Alpha virt. eigenvalues --    0.81705   0.82898   0.83704   0.83834   0.84204
 Alpha virt. eigenvalues --    0.85111   0.86016   0.86212   0.86759   0.88451
 Alpha virt. eigenvalues --    0.89340   0.89975   0.90503   0.91476   0.93114
 Alpha virt. eigenvalues --    0.93248   0.94153   0.95230   0.96556   0.97323
 Alpha virt. eigenvalues --    0.99380   1.00804   1.01493   1.03262   1.03507
 Alpha virt. eigenvalues --    1.03734   1.04392   1.05021   1.07146   1.08532
 Alpha virt. eigenvalues --    1.09225   1.10180   1.12163   1.12822   1.13246
 Alpha virt. eigenvalues --    1.15042   1.15791   1.17549   1.19186   1.20683
 Alpha virt. eigenvalues --    1.21893   1.23269   1.24037   1.24796   1.25021
 Alpha virt. eigenvalues --    1.27114   1.27936   1.30657   1.31163   1.33049
 Alpha virt. eigenvalues --    1.33543   1.34948   1.36633   1.38048   1.39519
 Alpha virt. eigenvalues --    1.42321   1.43924   1.45350   1.46314   1.47372
 Alpha virt. eigenvalues --    1.48510   1.51544   1.51743   1.52021   1.53181
 Alpha virt. eigenvalues --    1.55926   1.56412   1.57252   1.59041   1.60067
 Alpha virt. eigenvalues --    1.61621   1.63087   1.63479   1.64615   1.65856
 Alpha virt. eigenvalues --    1.67320   1.67861   1.69547   1.70696   1.71152
 Alpha virt. eigenvalues --    1.72153   1.73897   1.74200   1.75303   1.76851
 Alpha virt. eigenvalues --    1.76981   1.78285   1.79657   1.79955   1.81116
 Alpha virt. eigenvalues --    1.81762   1.83332   1.84129   1.85178   1.87414
 Alpha virt. eigenvalues --    1.88184   1.88951   1.89269   1.90420   1.91581
 Alpha virt. eigenvalues --    1.93733   1.94219   1.95563   1.96066   1.98241
 Alpha virt. eigenvalues --    1.98800   1.99247   2.01427   2.03087   2.04358
 Alpha virt. eigenvalues --    2.06320   2.07217   2.07660   2.07949   2.08890
 Alpha virt. eigenvalues --    2.10870   2.11460   2.12346   2.12942   2.14160
 Alpha virt. eigenvalues --    2.15819   2.16351   2.17120   2.18109   2.18858
 Alpha virt. eigenvalues --    2.19698   2.21333   2.22535   2.23877   2.25071
 Alpha virt. eigenvalues --    2.26773   2.27398   2.29151   2.29469   2.30740
 Alpha virt. eigenvalues --    2.31932   2.32609   2.33036   2.35121   2.37147
 Alpha virt. eigenvalues --    2.38283   2.39791   2.41665   2.43978   2.44998
 Alpha virt. eigenvalues --    2.45952   2.46896   2.47933   2.48074   2.51639
 Alpha virt. eigenvalues --    2.53057   2.54193   2.56671   2.57828   2.59320
 Alpha virt. eigenvalues --    2.62452   2.62510   2.63450   2.64880   2.65747
 Alpha virt. eigenvalues --    2.66705   2.67401   2.69067   2.71902   2.73268
 Alpha virt. eigenvalues --    2.73977   2.76160   2.80700   2.81862   2.82975
 Alpha virt. eigenvalues --    2.84974   2.89476   2.90640   2.93485   2.96601
 Alpha virt. eigenvalues --    3.00965   3.09795   3.18415   3.22727   3.25390
 Alpha virt. eigenvalues --    3.37965   3.50404   3.50999   3.53560   3.54705
 Alpha virt. eigenvalues --    3.66784   3.73943   3.80105   3.94917   5.06503
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.711376  -0.943132   0.315143  -0.098078  -0.162004   0.029687
     2  C   -0.943132  11.561810  -5.467578   2.076270  -0.475579  -0.187980
     3  C    0.315143  -5.467578  29.460927 -11.867091   0.014147   0.003813
     4  C   -0.098078   2.076270 -11.867091  22.675185  -6.715799  -1.571810
     5  C   -0.162004  -0.475579   0.014147  -6.715799  18.763673  -3.238276
     6  C    0.029687  -0.187980   0.003813  -1.571810  -3.238276  10.156302
     7  O   -0.000286  -0.003563  -0.015729  -0.141545  -0.158658   0.916626
     8  C   -0.469499  -1.043565   0.204434  -0.586051   0.015463   0.009102
     9  C   -0.349775  -1.271127   1.624278  -0.627335   0.193224   0.023060
    10  C   -0.306207   2.188436  -4.459501   0.915361  -0.480812  -0.136908
    11  C   -0.013568   0.033254  -0.374202  -0.238489   0.017582   0.202058
    12  H    0.141878  -0.060768  -0.331272   0.131801  -0.022714   0.002802
    13  H   -0.244010   0.245927   0.156343   0.241072   0.050917  -0.002539
    14  H   -0.150085   0.484510  -4.427396   1.547342  -0.079680  -0.054670
    15  H    0.009443  -0.167066  -0.772214   0.231318   0.189608  -0.003978
    16  H    0.038250   0.126306   0.257073   0.456118  -0.101671   0.000697
    17  H   -0.172450  -0.218600   0.227593  -0.027458   0.030482   0.008248
    18  H    0.329373  -0.012090  -0.115958   0.014358   0.040225  -0.001862
    19  H    0.121239   0.496550  -0.426963   0.031666  -0.074490  -0.015762
    20  H    0.056335  -0.179714   0.015913   0.101289  -0.008399   0.013156
    21  H    0.078681  -0.009076   0.023509  -0.010721  -0.010884  -0.001193
    22  H   -0.100882   0.750932  -0.279135   0.039281  -0.011813  -0.004642
    23  H    0.116021  -0.198944   0.247407  -2.070881  -1.114871   0.192580
    24  H    0.028134  -0.018949   0.078639   0.940980  -2.046500   0.027144
    25  H    0.003618  -0.019844   0.036166   0.028771  -0.172574   0.044543
    26  H    0.000487  -0.010588  -0.006073   0.044001  -0.186309   0.034788
    27  H   -0.002202   0.005570   0.004637   0.002051   0.351700   0.003463
               7          8          9         10         11         12
     1  C   -0.000286  -0.469499  -0.349775  -0.306207  -0.013568   0.141878
     2  C   -0.003563  -1.043565  -1.271127   2.188436   0.033254  -0.060768
     3  C   -0.015729   0.204434   1.624278  -4.459501  -0.374202  -0.331272
     4  C   -0.141545  -0.586051  -0.627335   0.915361  -0.238489   0.131801
     5  C   -0.158658   0.015463   0.193224  -0.480812   0.017582  -0.022714
     6  C    0.916626   0.009102   0.023060  -0.136908   0.202058   0.002802
     7  O    7.784837   0.000874  -0.000169   0.000219  -0.029332  -0.000056
     8  C    0.000874   6.871854  -0.508704   0.315531   0.009031   0.056400
     9  C   -0.000169  -0.508704   7.814728  -1.063870  -0.020814  -0.605057
    10  C    0.000219   0.315531  -1.063870   8.780543  -0.005348   0.263454
    11  C   -0.029332   0.009031  -0.020814  -0.005348   5.170483  -0.000053
    12  H   -0.000056   0.056400  -0.605057   0.263454  -0.000053   2.877523
    13  H    0.000306  -0.053491  -0.444774  -0.299857   0.004733  -1.028068
    14  H   -0.001735  -0.035645   0.036099   0.657089   0.023423   0.044266
    15  H   -0.000307  -0.075521   0.247506  -0.085277  -0.003383   0.255015
    16  H   -0.000011   0.015087  -0.180079  -0.798079   0.002086  -0.296719
    17  H    0.000046   0.258745   0.039639  -0.072087   0.001480   0.029344
    18  H   -0.000074  -0.091264   0.027437  -0.026392  -0.000375  -0.003363
    19  H   -0.000916  -0.082692  -0.208631   0.271026  -0.015149   0.044507
    20  H    0.000141   0.216221  -0.049552   0.005205   0.002534   0.034484
    21  H   -0.000009   0.039331   0.084286  -0.013107  -0.000534  -0.065400
    22  H    0.000016  -0.101946  -0.085077  -0.002156   0.000115  -0.049887
    23  H   -0.008329   0.059082  -0.172533  -0.337400   0.041136   0.047927
    24  H   -0.089275   0.000706  -0.005945   0.002579  -0.059806   0.002774
    25  H    0.023405  -0.000255   0.006926  -0.024381   0.399962  -0.000509
    26  H    0.026496   0.000360   0.011173  -0.013641   0.438257  -0.000451
    27  H   -0.050327   0.000297  -0.000896   0.004328  -0.083230   0.000112
              13         14         15         16         17         18
     1  C   -0.244010  -0.150085   0.009443   0.038250  -0.172450   0.329373
     2  C    0.245927   0.484510  -0.167066   0.126306  -0.218600  -0.012090
     3  C    0.156343  -4.427396  -0.772214   0.257073   0.227593  -0.115958
     4  C    0.241072   1.547342   0.231318   0.456118  -0.027458   0.014358
     5  C    0.050917  -0.079680   0.189608  -0.101671   0.030482   0.040225
     6  C   -0.002539  -0.054670  -0.003978   0.000697   0.008248  -0.001862
     7  O    0.000306  -0.001735  -0.000307  -0.000011   0.000046  -0.000074
     8  C   -0.053491  -0.035645  -0.075521   0.015087   0.258745  -0.091264
     9  C   -0.444774   0.036099   0.247506  -0.180079   0.039639   0.027437
    10  C   -0.299857   0.657089  -0.085277  -0.798079  -0.072087  -0.026392
    11  C    0.004733   0.023423  -0.003383   0.002086   0.001480  -0.000375
    12  H   -1.028068   0.044266   0.255015  -0.296719   0.029344  -0.003363
    13  H    3.230937  -0.045706  -0.348476   0.256344  -0.022740   0.028744
    14  H   -0.045706   3.876112   0.220495  -0.230401  -0.003967   0.011148
    15  H   -0.348476   0.220495   2.652156  -0.873747   0.007026  -0.003121
    16  H    0.256344  -0.230401  -0.873747   2.786262  -0.005183   0.001746
    17  H   -0.022740  -0.003967   0.007026  -0.005183   2.079162  -0.412888
    18  H    0.028744   0.011148  -0.003121   0.001746  -0.412888   1.853788
    19  H   -0.167841   0.007324   0.014978  -0.001808  -0.597882  -0.468008
    20  H   -0.021933  -0.025353   0.001520   0.000609   0.051522  -0.083095
    21  H    0.032874   0.016344  -0.008066   0.016453  -0.090477   0.031222
    22  H    0.024785  -0.040814  -0.000546  -0.029852   0.029033   0.014950
    23  H   -0.075955   0.086955  -0.018051   0.035446  -0.005037  -0.034374
    24  H   -0.011966  -0.073199   0.009201  -0.002601   0.000745  -0.010088
    25  H   -0.000559   0.001014  -0.003939  -0.000529   0.000233   0.001666
    26  H    0.002664   0.002671  -0.000774  -0.001644   0.006099   0.003727
    27  H    0.000435   0.000135   0.002165   0.000503  -0.000566   0.000328
              19         20         21         22         23         24
     1  C    0.121239   0.056335   0.078681  -0.100882   0.116021   0.028134
     2  C    0.496550  -0.179714  -0.009076   0.750932  -0.198944  -0.018949
     3  C   -0.426963   0.015913   0.023509  -0.279135   0.247407   0.078639
     4  C    0.031666   0.101289  -0.010721   0.039281  -2.070881   0.940980
     5  C   -0.074490  -0.008399  -0.010884  -0.011813  -1.114871  -2.046500
     6  C   -0.015762   0.013156  -0.001193  -0.004642   0.192580   0.027144
     7  O   -0.000916   0.000141  -0.000009   0.000016  -0.008329  -0.089275
     8  C   -0.082692   0.216221   0.039331  -0.101946   0.059082   0.000706
     9  C   -0.208631  -0.049552   0.084286  -0.085077  -0.172533  -0.005945
    10  C    0.271026   0.005205  -0.013107  -0.002156  -0.337400   0.002579
    11  C   -0.015149   0.002534  -0.000534   0.000115   0.041136  -0.059806
    12  H    0.044507   0.034484  -0.065400  -0.049887   0.047927   0.002774
    13  H   -0.167841  -0.021933   0.032874   0.024785  -0.075955  -0.011966
    14  H    0.007324  -0.025353   0.016344  -0.040814   0.086955  -0.073199
    15  H    0.014978   0.001520  -0.008066  -0.000546  -0.018051   0.009201
    16  H   -0.001808   0.000609   0.016453  -0.029852   0.035446  -0.002601
    17  H   -0.597882   0.051522  -0.090477   0.029033  -0.005037   0.000745
    18  H   -0.468008  -0.083095   0.031222   0.014950  -0.034374  -0.010088
    19  H    2.306432   0.019823   0.021697  -0.043935   0.059667   0.017360
    20  H    0.019823   1.937100  -0.464343  -0.482208   0.021092   0.006152
    21  H    0.021697  -0.464343   1.996215  -0.499702   0.001948   0.000290
    22  H   -0.043935  -0.482208  -0.499702   2.145255  -0.014111  -0.003626
    23  H    0.059667   0.021092   0.001948  -0.014111   5.346680   0.290443
    24  H    0.017360   0.006152   0.000290  -0.003626   0.290443   2.631154
    25  H    0.000473   0.000036  -0.000158   0.000049  -0.083633  -0.018817
    26  H   -0.038709  -0.000029  -0.000655   0.000391  -0.071602  -0.019632
    27  H    0.003748   0.000011   0.000088  -0.000055   0.006109   0.008808
              25         26         27
     1  C    0.003618   0.000487  -0.002202
     2  C   -0.019844  -0.010588   0.005570
     3  C    0.036166  -0.006073   0.004637
     4  C    0.028771   0.044001   0.002051
     5  C   -0.172574  -0.186309   0.351700
     6  C    0.044543   0.034788   0.003463
     7  O    0.023405   0.026496  -0.050327
     8  C   -0.000255   0.000360   0.000297
     9  C    0.006926   0.011173  -0.000896
    10  C   -0.024381  -0.013641   0.004328
    11  C    0.399962   0.438257  -0.083230
    12  H   -0.000509  -0.000451   0.000112
    13  H   -0.000559   0.002664   0.000435
    14  H    0.001014   0.002671   0.000135
    15  H   -0.003939  -0.000774   0.002165
    16  H   -0.000529  -0.001644   0.000503
    17  H    0.000233   0.006099  -0.000566
    18  H    0.001666   0.003727   0.000328
    19  H    0.000473  -0.038709   0.003748
    20  H    0.000036  -0.000029   0.000011
    21  H   -0.000158  -0.000655   0.000088
    22  H    0.000049   0.000391  -0.000055
    23  H   -0.083633  -0.071602   0.006109
    24  H   -0.018817  -0.019632   0.008808
    25  H    1.183292  -0.099360  -0.326372
    26  H   -0.099360   1.159033  -0.335393
    27  H   -0.326372  -0.335393   1.655455
 Mulliken charges:
               1
     1  C    1.032513
     2  C   -1.681404
     3  C    1.873089
     4  C    0.478394
     5  C    1.394009
     6  C   -0.448450
     7  O   -0.252645
     8  C    0.976114
     9  C    1.485981
    10  C    0.721250
    11  C    0.498150
    12  H   -0.467972
    13  H   -0.508166
    14  H   -0.846279
    15  H   -0.475963
    16  H   -0.470656
    17  H   -0.140062
    18  H   -0.095760
    19  H   -0.273706
    20  H   -0.168518
    21  H   -0.168614
    22  H   -0.254418
    23  H   -1.346770
    24  H   -0.684702
    25  H    0.020778
    26  H    0.054714
    27  H   -0.250905
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.522984
     2  C   -1.681404
     3  C    1.026811
     4  C   -0.868376
     5  C    0.709307
     6  C   -0.448450
     7  O   -0.252645
     8  C    0.384564
     9  C    0.509843
    10  C   -0.225369
    11  C    0.322737
 Electronic spatial extent (au):  <R**2>=           2453.6490
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.7607    Y=              1.2462    Z=              1.7826  Tot=              4.3444
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -83.1649   YY=            -69.5242   ZZ=            -68.3144
   XY=             -4.9322   XZ=             -8.2470   YZ=             -0.1415
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.4971   YY=              4.1436   ZZ=              5.3535
   XY=             -4.9322   XZ=             -8.2470   YZ=             -0.1415
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             67.2146  YYY=             -0.7485  ZZZ=             -2.1101  XYY=             -1.5636
  XXY=             19.2429  XXZ=             30.2507  XZZ=             -0.5073  YZZ=             -0.0571
  YYZ=              0.3729  XYZ=              1.2937
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2759.4091 YYYY=           -461.3573 ZZZZ=           -401.0613 XXXY=            -75.5220
 XXXZ=           -118.2772 YYYX=              0.9475 YYYZ=              5.3991 ZZZX=             -1.5668
 ZZZY=              1.8136 XXYY=           -497.3951 XXZZ=           -489.7764 YYZZ=           -145.6354
 XXYZ=            -22.3474 YYXZ=             -2.9745 ZZXY=              1.0446
 N-N= 6.101943807680D+02 E-N=-2.301081297657D+03  KE= 4.625430428221D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 23:27:36 2021, MaxMem=  5368709120 cpu:               4.8 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.46430138D+00 4.66287825D-01 6.48282452D-01
 Polarizability= 1.60415177D+02 6.22841270D+00 1.04662517D+02
                 4.05450575D+00 4.09678593D+00 1.07452185D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.8025   -2.7998        3.5599    3.5545
 2      2.8025    2.7998       -2.0878   -2.0864      -29.8137  -29.8031
 3     -3.5599   -3.5545       28.5221   28.5062        2.0905    2.0864
 4      2.0878    2.0864        0.0000    0.0000       -3.5505   -3.5545
 5      1.2915    1.2968        3.5505    3.5545       -2.8004   -2.7998
 6     -2.0905   -2.0864        2.8004    2.7998        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        8.3993    8.3993       10.6635   10.6635
 2      6.2591    6.2591       -0.0000    0.0000       10.6635   10.6635
 3      6.2591    6.2591        8.3993    8.3993        0.0000    0.0000
 4      8.3993    8.3993       -6.2591   -6.2591      -89.4092  -89.4092
 5    -10.6635  -10.6635       85.5187   85.5187        6.2591    6.2591
 6      3.8904    3.8904       10.6635   10.6635       -8.3993   -8.3993
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.6836    0.0000       11.2617   11.1991      -14.2269  -14.2180
 2    -11.4987  -11.1991        7.8502    8.3454      119.2861  119.2122
 3     14.6461   14.2180     -114.0082 -114.0250       -8.5639   -8.3454
 4     -7.9387   -8.3454        0.1153    0.0000       14.1963   14.2180
 5     -5.7136   -5.1872      -14.4265  -14.2180       11.1741   11.1991
 6      8.2071    8.3454      -11.1240  -11.1991       -0.0371    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4195    0.0000       26.8612   26.9749      -21.7383  -20.7421
 2    -27.4225  -26.9749      -27.7500  -27.2386        4.9824    4.6066
 3     20.6214   20.7421       56.0760   56.1131       27.5403   27.2386
 4     27.1835   27.2386        0.0757    0.0000       20.8085   20.7421
 5    -61.8080  -60.7197      -20.7334  -20.7421       26.7646   26.9749
 6    -26.9861  -27.2386      -26.9412  -26.9749        0.2254    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     48.7223   48.7159       33.1929   33.4365      -34.6944  -34.7938
 2     73.8703   73.8548       50.5209   50.8039      -35.1506  -34.7938
 3     73.9770   73.8548       33.3334   33.4365      -21.4953  -21.5168
 4    -17.4974  -17.3674      -25.0635  -25.1388       24.4963   23.7594
 5     12.7464   13.2769       54.0336   54.1243       26.2447   25.1388
 6    -78.8767  -77.8837      -12.8203  -13.2769       17.2399   17.3674
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.8724   -3.3814   -0.0006   -0.0003    0.0004    5.3328
 Low frequencies ---   38.5934   61.4722   73.8002
 Diagonal vibrational polarizability:
       18.0980461      53.8424345      15.2395415
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.5739                61.4698                73.7944
 Red. masses --      4.1603                 2.9417                 3.0486
 Frc consts  --      0.0036                 0.0065                 0.0098
 IR Inten    --      3.3453                 0.4598                 0.9407
 RamAct Fr= 1--      2.3994                 0.5750                 0.6192
  Dep-P Fr= 1--      0.7343                 0.7500                 0.5660
  Dep-U Fr= 1--      0.8468                 0.8571                 0.7228
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0022
 Beta2  Fr= 1--      0.3386                 0.0821                 0.0746
 AlphaG Fr= 1--     -0.0020                -0.0000                 0.0071
 Gamma2 Fr= 1--     -0.1559                 0.1437                 0.2794
 Delta2 Fr= 1--      0.0458                 0.0440                 0.0492
 Raman1 Fr= 1--       9.597                  2.300                  2.477
 ROA1   Fr= 1--     -13.495                 15.201                 28.396
 CID1   Fr= 1--      -1.406                  6.609                 11.465
 Raman2 Fr= 1--       4.064                  0.986                  0.895
 ROA2   Fr= 1--      -4.107                  3.096                  6.312
 CID2   Fr= 1--      -1.011                  3.140                  7.051
 Raman3 Fr= 1--       8.127                  1.971                  1.790
 ROA3   Fr= 1--     -13.495                 15.201                 28.396
 CID3   Fr= 1--      -1.660                  7.711                 15.861
 RC180  Fr= 1--       0.694                  0.714                  0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.05   0.11     0.08  -0.13  -0.08     0.18  -0.00   0.05
     2   6     0.05   0.01   0.03     0.02  -0.02  -0.00     0.07  -0.01  -0.01
     3   6    -0.01  -0.11   0.01     0.00  -0.09  -0.03    -0.03  -0.02   0.10
     4   6    -0.00  -0.13   0.03     0.01  -0.10  -0.01    -0.02  -0.07   0.12
     5   6    -0.03  -0.01  -0.01    -0.02  -0.06   0.00    -0.01  -0.03   0.07
     6   6    -0.04   0.04  -0.02    -0.01   0.04   0.02    -0.05   0.01  -0.03
     7   8    -0.09   0.28  -0.12    -0.04   0.03   0.06    -0.00  -0.02  -0.07
     8   6     0.06   0.01   0.05     0.15   0.14   0.03    -0.03  -0.01  -0.12
     9   6    -0.01   0.07  -0.07    -0.15   0.01   0.07     0.12  -0.01  -0.05
    10   6    -0.08  -0.05  -0.09    -0.07  -0.05  -0.02    -0.06   0.00   0.08
    11   6     0.02  -0.20   0.09     0.02   0.18  -0.03    -0.16   0.13  -0.10
    12   1    -0.02   0.13  -0.11    -0.17   0.10   0.21     0.12   0.01  -0.21
    13   1     0.00   0.11  -0.07    -0.29  -0.03   0.02     0.27  -0.04   0.02
    14   1    -0.02  -0.17   0.03     0.01  -0.11  -0.02    -0.06   0.01   0.09
    15   1    -0.13  -0.07  -0.13    -0.12  -0.06  -0.11    -0.08  -0.05   0.21
    16   1    -0.12  -0.06  -0.12     0.00  -0.07   0.03    -0.19   0.10   0.02
    17   1     0.17   0.14   0.11     0.08  -0.06  -0.04     0.25   0.02  -0.03
    18   1     0.17  -0.01   0.18     0.21  -0.16  -0.16     0.15  -0.02   0.11
    19   1     0.13   0.05   0.10    -0.03  -0.25  -0.11     0.25  -0.00   0.12
    20   1     0.10  -0.05   0.11     0.29   0.12  -0.04    -0.09  -0.00  -0.08
    21   1     0.10   0.10   0.05     0.16   0.22   0.06     0.03  -0.01  -0.22
    22   1     0.00  -0.02  -0.01     0.12   0.22   0.08    -0.12  -0.00  -0.16
    23   1     0.02  -0.21   0.07     0.02  -0.08  -0.02    -0.03  -0.10   0.14
    24   1    -0.06   0.10  -0.06    -0.05  -0.09   0.01     0.03   0.00   0.06
    25   1     0.12  -0.24   0.29     0.04   0.18  -0.15    -0.22   0.15  -0.19
    26   1    -0.02  -0.40  -0.02     0.02   0.24   0.01    -0.18   0.24  -0.00
    27   1     0.01  -0.15   0.07     0.02   0.22  -0.01    -0.17   0.10  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.6779               151.6878               155.2073
 Red. masses --      1.0329                 2.8305                 3.5188
 Frc consts  --      0.0095                 0.0384                 0.0499
 IR Inten    --      0.0320                 2.8155                 1.1385
 RamAct Fr= 1--      0.0600                 0.4318                 0.9553
  Dep-P Fr= 1--      0.7444                 0.6528                 0.5564
  Dep-U Fr= 1--      0.8535                 0.7899                 0.7150
 Alpha2 Fr= 1--      0.0000                 0.0008                 0.0035
 Beta2  Fr= 1--      0.0085                 0.0568                 0.1138
 AlphaG Fr= 1--     -0.0001                 0.0065                -0.0521
 Gamma2 Fr= 1--     -0.0245                -0.7688                 0.2558
 Delta2 Fr= 1--     -0.0097                 0.0873                 0.1064
 Raman1 Fr= 1--       0.240                  1.727                  3.821
 ROA1   Fr= 1--      -2.663                -71.015                 27.966
 CID1   Fr= 1--     -11.101                -41.118                  7.319
 Raman2 Fr= 1--       0.102                  0.682                  1.366
 ROA2   Fr= 1--      -0.511                -19.150                  5.288
 CID2   Fr= 1--      -4.995                -28.073                  3.871
 Raman3 Fr= 1--       0.205                  1.364                  2.732
 ROA3   Fr= 1--      -2.663                -71.015                 27.966
 CID3   Fr= 1--     -13.007                -52.053                 10.236
 RC180  Fr= 1--       0.707                  0.580                  0.430
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.05   0.05     0.08  -0.04   0.04
     2   6     0.00   0.00  -0.00     0.01   0.01   0.00     0.01  -0.03   0.02
     3   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.01  -0.06   0.01
     4   6    -0.00   0.01   0.00    -0.02  -0.12  -0.10    -0.00   0.01   0.02
     5   6     0.00   0.00   0.01    -0.04   0.01  -0.17    -0.08   0.36  -0.12
     6   6    -0.00   0.01  -0.00     0.01   0.00  -0.05    -0.03   0.08  -0.02
     7   8     0.01  -0.03   0.01    -0.07  -0.02   0.09     0.03  -0.16   0.05
     8   6    -0.00   0.01  -0.01    -0.01  -0.05   0.01     0.04  -0.00   0.03
     9   6     0.00   0.00  -0.00     0.04  -0.00   0.00    -0.02  -0.01  -0.01
    10   6     0.00   0.00  -0.00    -0.13   0.05   0.15     0.02  -0.06  -0.06
    11   6    -0.01   0.01  -0.01     0.19   0.05  -0.03    -0.06  -0.02   0.01
    12   1     0.00   0.00   0.00     0.04   0.02  -0.16    -0.02   0.00   0.04
    13   1    -0.00   0.00  -0.00     0.20  -0.07   0.09    -0.07   0.02  -0.03
    14   1    -0.01  -0.00   0.00     0.12   0.09  -0.04    -0.03  -0.09   0.02
    15   1     0.01   0.00  -0.00    -0.23  -0.08   0.35     0.04  -0.02  -0.13
    16   1     0.00  -0.00  -0.00    -0.23   0.29   0.15     0.05  -0.14  -0.07
    17   1     0.01  -0.00  -0.00     0.00   0.05   0.04     0.11   0.04   0.05
    18   1     0.01  -0.00  -0.01    -0.04   0.05   0.09     0.14  -0.09   0.06
    19   1     0.00  -0.01  -0.00     0.03   0.10   0.05     0.05  -0.08   0.04
    20   1    -0.00   0.01  -0.01    -0.04  -0.05   0.04     0.08  -0.04   0.05
    21   1     0.00   0.01  -0.01    -0.02  -0.06   0.01     0.05   0.05   0.03
    22   1    -0.00   0.01  -0.00    -0.00  -0.07  -0.01     0.00  -0.01   0.01
    23   1    -0.00   0.03  -0.00    -0.05  -0.27  -0.04     0.07  -0.29   0.16
    24   1     0.01  -0.02   0.02    -0.09   0.12  -0.22    -0.13   0.64  -0.24
    25   1     0.52  -0.15   0.20     0.28   0.03  -0.07    -0.12  -0.01   0.10
    26   1    -0.44  -0.40   0.04     0.20   0.01  -0.07    -0.02  -0.05  -0.04
    27   1    -0.10   0.50  -0.22     0.20   0.15   0.06    -0.05  -0.13   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    219.0849               242.2429               268.9996
 Red. masses --      1.2364                 1.9348                 1.4194
 Frc consts  --      0.0350                 0.0669                 0.0605
 IR Inten    --      0.1062                 0.5001                 0.2434
 RamAct Fr= 1--      0.1483                 0.7428                 1.8388
  Dep-P Fr= 1--      0.4363                 0.3253                 0.2133
  Dep-U Fr= 1--      0.6075                 0.4909                 0.3516
 Alpha2 Fr= 1--      0.0010                 0.0071                 0.0241
 Beta2  Fr= 1--      0.0150                 0.0608                 0.1077
 AlphaG Fr= 1--      0.0029                -0.0014                 0.0340
 Gamma2 Fr= 1--      0.3878                 0.0705                 0.5012
 Delta2 Fr= 1--     -0.0315                 0.1511                 0.0043
 Raman1 Fr= 1--       0.593                  2.971                  7.355
 ROA1   Fr= 1--      36.223                 11.604                 48.252
 CID1   Fr= 1--      61.050                  3.905                  6.560
 Raman2 Fr= 1--       0.180                  0.729                  1.293
 ROA2   Fr= 1--       9.560                  0.484                 11.994
 CID2   Fr= 1--      53.043                  0.663                  9.276
 Raman3 Fr= 1--       0.360                  1.459                  2.586
 ROA3   Fr= 1--      36.223                 11.604                 48.252
 CID3   Fr= 1--     100.488                  7.956                 18.659
 RC180  Fr= 1--       0.215                 -0.018                 -0.297
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.00   0.05    -0.06   0.03  -0.08     0.04  -0.01   0.01
     2   6    -0.02  -0.01   0.01     0.04  -0.00  -0.06     0.00  -0.01  -0.00
     3   6    -0.01   0.02   0.00     0.03   0.01  -0.05     0.00   0.03  -0.01
     4   6    -0.02   0.04  -0.03     0.02  -0.02  -0.01    -0.04   0.07  -0.07
     5   6    -0.00  -0.01  -0.02    -0.02   0.01   0.04    -0.04  -0.02  -0.03
     6   6     0.00  -0.00  -0.01    -0.04   0.01   0.04    -0.04  -0.00  -0.01
     7   8    -0.01   0.00   0.00    -0.02   0.00   0.01    -0.07  -0.00   0.02
     8   6    -0.06   0.00  -0.04     0.14  -0.06   0.08     0.03   0.01   0.01
     9   6    -0.02  -0.02   0.03     0.08  -0.01  -0.06     0.04  -0.04   0.02
    10   6     0.03  -0.01   0.01    -0.03   0.03   0.04     0.06  -0.00   0.03
    11   6     0.03  -0.01  -0.01    -0.12  -0.01   0.03    -0.02  -0.02   0.00
    12   1    -0.02  -0.04   0.08     0.08  -0.02  -0.20     0.05  -0.08   0.01
    13   1    -0.06  -0.03   0.01     0.21  -0.03   0.00     0.06  -0.04   0.02
    14   1     0.00   0.02   0.00     0.03   0.07  -0.07     0.04   0.05  -0.01
    15   1     0.05   0.02  -0.01    -0.08  -0.04   0.16     0.10   0.02   0.05
    16   1     0.06  -0.04   0.02    -0.10   0.18   0.03     0.07  -0.00   0.04
    17   1     0.06   0.44   0.33    -0.16   0.24   0.20     0.06   0.05   0.03
    18   1     0.52  -0.28   0.10     0.22  -0.10  -0.12     0.10  -0.06   0.03
    19   1    -0.27  -0.14  -0.21    -0.33  -0.02  -0.33     0.01  -0.03  -0.01
    20   1    -0.15   0.12  -0.17     0.19  -0.03   0.00     0.23  -0.31   0.39
    21   1    -0.11  -0.18  -0.07     0.01  -0.11   0.24     0.25   0.51  -0.02
    22   1     0.04   0.06   0.06     0.32  -0.07   0.16    -0.34  -0.13  -0.30
    23   1    -0.04   0.10  -0.06     0.06  -0.03  -0.00    -0.07   0.17  -0.12
    24   1     0.01  -0.06   0.01    -0.07   0.02   0.03    -0.03  -0.12   0.02
    25   1     0.03  -0.01  -0.01    -0.15   0.00   0.06    -0.03  -0.02   0.01
    26   1     0.05  -0.01  -0.02    -0.15   0.00   0.06    -0.01  -0.02  -0.02
    27   1     0.04  -0.01   0.02    -0.13  -0.04  -0.03    -0.02  -0.03   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    279.5889               332.3794               354.3342
 Red. masses --      1.9065                 2.3038                 2.2643
 Frc consts  --      0.0878                 0.1500                 0.1675
 IR Inten    --      0.5660                 0.0630                 0.1121
 RamAct Fr= 1--      3.3511                 0.8170                 1.7351
  Dep-P Fr= 1--      0.1927                 0.5043                 0.7190
  Dep-U Fr= 1--      0.3231                 0.6705                 0.8365
 Alpha2 Fr= 1--      0.0464                 0.0040                 0.0009
 Beta2  Fr= 1--      0.1805                 0.0913                 0.2419
 AlphaG Fr= 1--      0.0265                 0.0052                -0.0024
 Gamma2 Fr= 1--      0.5083                -1.0258                -1.2877
 Delta2 Fr= 1--     -0.0340                -0.1384                -0.6508
 Raman1 Fr= 1--      13.404                  3.268                  6.940
 ROA1   Fr= 1--      47.706               -102.908               -144.449
 CID1   Fr= 1--       3.559                -31.488                -20.813
 Raman2 Fr= 1--       2.165                  1.096                  2.903
 ROA2   Fr= 1--      12.470                -23.512                -25.699
 CID2   Fr= 1--       5.759                -21.460                 -8.853
 Raman3 Fr= 1--       4.331                  2.191                  5.806
 ROA3   Fr= 1--      47.706               -102.908               -144.449
 CID3   Fr= 1--      11.015                -46.963                -24.880
 RC180  Fr= 1--      -0.354                  0.341                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.03    -0.11  -0.06  -0.02     0.11  -0.14  -0.04
     2   6    -0.04  -0.00  -0.03    -0.03   0.01   0.08    -0.03   0.00   0.02
     3   6    -0.02  -0.01  -0.00    -0.05  -0.03   0.11    -0.05   0.01   0.02
     4   6     0.05  -0.03   0.09    -0.05  -0.01   0.09    -0.05   0.16  -0.01
     5   6     0.06   0.03   0.05    -0.01   0.00  -0.01     0.00   0.03   0.02
     6   6     0.08   0.01   0.01    -0.02  -0.02  -0.04     0.01   0.03  -0.03
     7   8     0.12   0.01  -0.04    -0.04  -0.02  -0.01     0.03  -0.02  -0.02
     8   6    -0.05  -0.05  -0.01    -0.00   0.14   0.02    -0.00  -0.08   0.11
     9   6    -0.08   0.01  -0.02     0.14   0.01  -0.07    -0.01   0.05  -0.06
    10   6    -0.10   0.02   0.00     0.03  -0.05  -0.05    -0.11   0.03  -0.01
    11   6     0.05   0.02   0.00     0.10   0.00  -0.04     0.06  -0.01  -0.00
    12   1    -0.08   0.05  -0.03     0.17  -0.11  -0.31    -0.01   0.05  -0.19
    13   1    -0.07  -0.02  -0.01     0.36   0.19  -0.03     0.10   0.09  -0.02
    14   1    -0.09  -0.00  -0.00    -0.08  -0.10   0.14    -0.06  -0.03   0.04
    15   1    -0.16  -0.03   0.03     0.10  -0.01  -0.04    -0.17  -0.04   0.08
    16   1    -0.12   0.08   0.01    -0.07  -0.13  -0.15    -0.19   0.14  -0.03
    17   1    -0.10   0.19   0.15    -0.22  -0.04   0.13     0.21  -0.19  -0.21
    18   1     0.18  -0.12  -0.05     0.04  -0.06  -0.18     0.13  -0.09  -0.14
    19   1    -0.26  -0.07  -0.19    -0.29  -0.15  -0.16     0.15  -0.31   0.12
    20   1     0.04  -0.30   0.33     0.10   0.14  -0.05    -0.03  -0.07   0.10
    21   1     0.13   0.32  -0.07     0.05   0.21  -0.01    -0.12  -0.16   0.24
    22   1    -0.34  -0.20  -0.30    -0.09   0.25   0.08     0.17  -0.15   0.13
    23   1     0.09  -0.10   0.12    -0.10  -0.03   0.09    -0.08   0.38  -0.10
    24   1     0.08   0.11   0.02     0.07   0.03  -0.01     0.09  -0.17   0.10
    25   1     0.05   0.02  -0.01     0.14  -0.01  -0.08     0.06  -0.01   0.03
    26   1     0.03   0.03   0.02     0.15  -0.01  -0.09     0.11  -0.04  -0.07
    27   1     0.05   0.03  -0.01     0.12   0.04   0.07     0.08  -0.02   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    371.0679               402.3419               446.9861
 Red. masses --      2.2837                 2.5137                 2.3439
 Frc consts  --      0.1853                 0.2397                 0.2759
 IR Inten    --      0.4749                 0.0742                 0.1198
 RamAct Fr= 1--      1.3384                 0.4873                 1.2723
  Dep-P Fr= 1--      0.1763                 0.5557                 0.5761
  Dep-U Fr= 1--      0.2998                 0.7144                 0.7310
 Alpha2 Fr= 1--      0.0193                 0.0018                 0.0042
 Beta2  Fr= 1--      0.0669                 0.0580                 0.1550
 AlphaG Fr= 1--     -0.0089                -0.0115                -0.0200
 Gamma2 Fr= 1--     -0.3437                 0.7105                 0.5803
 Delta2 Fr= 1--      0.1307                 0.1455                 0.6035
 Raman1 Fr= 1--       5.354                  1.949                  5.089
 ROA1   Fr= 1--     -28.809                 72.866                 75.022
 CID1   Fr= 1--      -5.381                 37.384                 14.741
 Raman2 Fr= 1--       0.803                  0.696                  1.860
 ROA2   Fr= 1--      -9.294                 15.888                  9.100
 CID2   Fr= 1--     -11.580                 22.820                  4.892
 Raman3 Fr= 1--       1.605                  1.392                  3.720
 ROA3   Fr= 1--     -28.809                 72.866                 75.022
 CID3   Fr= 1--     -17.948                 52.329                 20.165
 RC180  Fr= 1--      -0.400                  0.429                  0.462
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.04  -0.11     0.03   0.09   0.00    -0.04   0.06  -0.05
     2   6     0.04   0.09   0.02    -0.03  -0.04  -0.13     0.17   0.00   0.02
     3   6     0.02   0.08   0.04    -0.10   0.08   0.01     0.04  -0.10   0.09
     4   6    -0.00  -0.10   0.06    -0.06   0.04   0.15    -0.01   0.07   0.04
     5   6    -0.01  -0.03  -0.01    -0.02   0.02   0.07    -0.01   0.04   0.02
     6   6    -0.04  -0.06  -0.01    -0.05  -0.05  -0.03    -0.06   0.07  -0.06
     7   8    -0.09   0.01   0.02    -0.05  -0.02  -0.05    -0.06  -0.05   0.01
     8   6    -0.06  -0.11   0.05     0.12  -0.04   0.01     0.07  -0.08  -0.10
     9   6     0.02   0.11   0.04    -0.05  -0.10  -0.02    -0.01   0.07   0.06
    10   6     0.09   0.08  -0.03     0.02   0.00   0.01    -0.05  -0.05   0.02
    11   6     0.01   0.01  -0.03     0.11   0.01  -0.05     0.03  -0.02  -0.02
    12   1     0.01   0.14   0.16    -0.06  -0.10   0.11    -0.05   0.29   0.19
    13   1    -0.10   0.11  -0.01    -0.15  -0.22  -0.04    -0.16  -0.05   0.02
    14   1     0.01   0.10   0.04    -0.25   0.18  -0.01     0.02  -0.14   0.11
    15   1     0.20   0.20  -0.18     0.16   0.11  -0.02    -0.11  -0.06  -0.06
    16   1     0.16  -0.14  -0.06     0.07  -0.13   0.00    -0.04  -0.07   0.02
    17   1     0.03  -0.05  -0.10     0.09   0.17  -0.04    -0.23  -0.06   0.15
    18   1     0.18  -0.01  -0.29    -0.07   0.03   0.21    -0.08   0.14  -0.14
    19   1    -0.07  -0.23  -0.10     0.14   0.24   0.03    -0.13   0.18  -0.22
    20   1    -0.22  -0.15   0.24     0.28  -0.08  -0.05    -0.10  -0.04  -0.03
    21   1    -0.08  -0.15   0.06     0.00   0.01   0.21     0.13  -0.16  -0.24
    22   1     0.00  -0.31  -0.10     0.27  -0.04   0.08     0.01  -0.12  -0.18
    23   1    -0.01  -0.32   0.15    -0.04  -0.03   0.18    -0.07   0.35  -0.09
    24   1    -0.02   0.17  -0.10     0.10   0.11   0.04     0.10  -0.20   0.13
    25   1     0.06  -0.00  -0.12     0.22  -0.02  -0.16     0.03  -0.03   0.08
    26   1    -0.01   0.04  -0.00     0.19   0.01  -0.11     0.13  -0.11  -0.17
    27   1     0.01   0.07  -0.01     0.15   0.12   0.13     0.06  -0.07   0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    539.0465               559.2387               589.2759
 Red. masses --      2.8331                 3.8330                 2.6934
 Frc consts  --      0.4850                 0.7063                 0.5511
 IR Inten    --      8.7695                 7.8933                 2.1714
 RamAct Fr= 1--      2.9540                 0.7923                 2.3668
  Dep-P Fr= 1--      0.1136                 0.6690                 0.1342
  Dep-U Fr= 1--      0.2041                 0.8017                 0.2366
 Alpha2 Fr= 1--      0.0500                 0.0011                 0.0381
 Beta2  Fr= 1--      0.1005                 0.1059                 0.0933
 AlphaG Fr= 1--     -0.0238                -0.0074                -0.1493
 Gamma2 Fr= 1--      0.0915                -0.4020                -0.2545
 Delta2 Fr= 1--     -0.0488                 0.0416                 0.0916
 Raman1 Fr= 1--      11.816                  3.169                  9.467
 ROA1   Fr= 1--       7.217                -37.261                -21.505
 CID1   Fr= 1--       0.611                -11.757                 -2.272
 Raman2 Fr= 1--       1.206                  1.270                  1.120
 ROA2   Fr= 1--       2.586                 -9.981                 -6.841
 CID2   Fr= 1--       2.145                 -7.857                 -6.108
 Raman3 Fr= 1--       2.411                  2.541                  2.240
 ROA3   Fr= 1--       7.217                -37.261                -21.505
 CID3   Fr= 1--       2.993                -14.666                 -9.600
 RC180  Fr= 1--      -0.592                  0.603                 -0.527
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.02     0.04   0.08  -0.08     0.02   0.04  -0.04
     2   6    -0.01  -0.01  -0.04     0.02   0.06  -0.02    -0.08   0.04  -0.04
     3   6    -0.08   0.03   0.12    -0.11  -0.01   0.08     0.03  -0.02  -0.06
     4   6    -0.07   0.00   0.06    -0.17  -0.10  -0.08     0.08  -0.11   0.05
     5   6     0.09  -0.06  -0.15    -0.14  -0.08  -0.08     0.04  -0.06   0.07
     6   6     0.17   0.06  -0.06    -0.00   0.12   0.05    -0.06   0.24  -0.12
     7   8     0.01   0.07   0.18     0.21  -0.04  -0.12    -0.03  -0.08   0.05
     8   6     0.04  -0.02  -0.01     0.01  -0.01   0.01    -0.08   0.05   0.06
     9   6    -0.01  -0.02  -0.02     0.04   0.00   0.04     0.00  -0.04   0.01
    10   6    -0.02  -0.01  -0.00     0.03  -0.06   0.04     0.04   0.01   0.01
    11   6    -0.05  -0.04  -0.07     0.02   0.08   0.17    -0.01   0.01  -0.04
    12   1    -0.02   0.01   0.02     0.04   0.02   0.03     0.02  -0.15  -0.04
    13   1    -0.06  -0.06  -0.03     0.04  -0.05   0.05     0.06  -0.02   0.03
    14   1    -0.17   0.06   0.11    -0.04   0.04   0.06     0.02   0.00  -0.06
    15   1     0.10   0.09  -0.07     0.21   0.13  -0.12     0.02  -0.00   0.02
    16   1    -0.04  -0.20  -0.07     0.07  -0.35  -0.02     0.06   0.04   0.04
    17   1    -0.00   0.03  -0.01     0.02   0.05  -0.07     0.12   0.12  -0.14
    18   1    -0.01   0.01   0.01     0.04   0.10  -0.13     0.06  -0.01   0.00
    19   1     0.01   0.06  -0.04     0.02   0.07  -0.09     0.06  -0.03   0.04
    20   1     0.10  -0.05  -0.02    -0.02  -0.03   0.07    -0.05   0.02   0.07
    21   1    -0.01   0.01   0.08    -0.05  -0.02   0.09    -0.12   0.07   0.13
    22   1     0.10  -0.04   0.01     0.09  -0.09  -0.02    -0.03   0.01   0.05
    23   1    -0.31   0.02   0.02    -0.34  -0.04  -0.12     0.15  -0.01   0.02
    24   1     0.19  -0.10  -0.12    -0.33  -0.21  -0.03     0.11  -0.22   0.14
    25   1    -0.29   0.01   0.19     0.00   0.08   0.30    -0.08  -0.00   0.44
    26   1    -0.25  -0.06   0.07     0.08  -0.02   0.05     0.17  -0.33  -0.42
    27   1    -0.12  -0.29  -0.49     0.04   0.02   0.26     0.05  -0.26   0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    630.2279               730.0886               803.3491
 Red. masses --      3.1721                 1.4722                 3.3678
 Frc consts  --      0.7423                 0.4624                 1.2806
 IR Inten    --      3.0810                 6.1136                 2.7011
 RamAct Fr= 1--      8.8612                 5.2595                15.0453
  Dep-P Fr= 1--      0.0504                 0.1100                 0.7267
  Dep-U Fr= 1--      0.0961                 0.1981                 0.8417
 Alpha2 Fr= 1--      0.1748                 0.0899                 0.0060
 Beta2  Fr= 1--      0.1419                 0.1737                 2.1107
 AlphaG Fr= 1--      0.2565                 0.2065                 0.0631
 Gamma2 Fr= 1--     -0.4487                 1.2511                 3.2365
 Delta2 Fr= 1--     -0.2259                 0.3357                -1.8339
 Raman1 Fr= 1--      35.445                 21.038                 60.181
 ROA1   Fr= 1--     -50.301                130.846                252.016
 CID1   Fr= 1--      -1.419                  6.219                  4.188
 Raman2 Fr= 1--       1.702                  2.084                 25.328
 ROA2   Fr= 1--      -8.961                 27.341                 92.346
 CID2   Fr= 1--      -5.264                 13.119                  3.646
 Raman3 Fr= 1--       3.405                  4.168                 50.656
 ROA3   Fr= 1--     -50.301                130.846                252.016
 CID3   Fr= 1--     -14.774                 31.392                  4.975
 RC180  Fr= 1--      -0.808                 -0.604                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.17   0.17     0.02   0.04  -0.04    -0.02   0.00  -0.03
     2   6     0.03  -0.10   0.03     0.01   0.01   0.01    -0.07  -0.02  -0.05
     3   6     0.01   0.14   0.03     0.04  -0.05   0.07     0.09  -0.01   0.10
     4   6    -0.02  -0.06   0.00    -0.02  -0.01   0.01     0.09   0.01   0.04
     5   6    -0.02  -0.07  -0.01    -0.00   0.01  -0.03     0.18   0.00  -0.16
     6   6    -0.03   0.10  -0.03    -0.00  -0.01   0.00    -0.05  -0.06  -0.09
     7   8     0.03  -0.04  -0.02    -0.00  -0.00  -0.01    -0.10  -0.05  -0.07
     8   6     0.10  -0.06  -0.08    -0.04   0.03   0.04    -0.01  -0.01  -0.01
     9   6    -0.03   0.06  -0.10     0.01  -0.08  -0.08    -0.04   0.00   0.01
    10   6     0.03   0.19  -0.06     0.06   0.05  -0.05    -0.04   0.03  -0.01
    11   6    -0.00   0.04   0.04    -0.00   0.01   0.03    -0.04   0.09   0.26
    12   1    -0.05   0.11   0.13     0.00  -0.14   0.42    -0.03  -0.02  -0.19
    13   1    -0.22   0.08  -0.18    -0.41  -0.06  -0.26     0.14  -0.04   0.09
    14   1     0.01   0.21   0.01     0.04  -0.18   0.12     0.04  -0.02   0.11
    15   1     0.10   0.20   0.06    -0.04  -0.16   0.39    -0.06   0.08  -0.22
    16   1    -0.05   0.19  -0.12    -0.23   0.41  -0.15     0.07  -0.14   0.02
    17   1    -0.14  -0.20   0.24    -0.01  -0.00  -0.02     0.09   0.13  -0.09
    18   1    -0.11  -0.17   0.20     0.02   0.07  -0.10    -0.01  -0.09   0.13
    19   1    -0.09  -0.10   0.11    -0.00   0.04  -0.06     0.06   0.03   0.03
    20   1     0.18  -0.04  -0.18    -0.04   0.02   0.05     0.10  -0.04  -0.05
    21   1     0.18  -0.03  -0.17    -0.05   0.04   0.06    -0.06   0.06   0.09
    22   1    -0.00   0.07  -0.02    -0.03   0.03   0.05     0.03   0.01   0.02
    23   1    -0.10  -0.14   0.03    -0.10   0.03  -0.01    -0.08   0.11  -0.03
    24   1    -0.07  -0.06  -0.02     0.01  -0.04  -0.01     0.44  -0.09  -0.11
    25   1    -0.03   0.03   0.26     0.00   0.01  -0.01    -0.05   0.10   0.20
    26   1     0.07  -0.12  -0.13    -0.01   0.04   0.06    -0.07   0.14   0.32
    27   1     0.02  -0.08   0.13    -0.01   0.03   0.02    -0.04   0.16   0.30
                     22                     23                     24
                      A                      A                      A
 Frequencies --    843.1803               869.8129               893.1449
 Red. masses --      2.3417                 2.0686                 1.8118
 Frc consts  --      0.9809                 0.9221                 0.8515
 IR Inten    --      2.4536                 0.1970                 0.1808
 RamAct Fr= 1--     12.9178                 9.4123                 7.3957
  Dep-P Fr= 1--      0.3698                 0.5792                 0.1135
  Dep-U Fr= 1--      0.5399                 0.7335                 0.2039
 Alpha2 Fr= 1--      0.1062                 0.0302                 0.1252
 Beta2  Fr= 1--      1.1624                 1.1507                 0.2514
 AlphaG Fr= 1--      0.8680                 0.0988                -0.1515
 Gamma2 Fr= 1--      5.1114                 0.1957                -2.8299
 Delta2 Fr= 1--      0.6751                -0.6453                -1.3675
 Raman1 Fr= 1--      51.671                 37.649                 29.583
 ROA1   Fr= 1--     512.302                 -1.864               -315.429
 CID1   Fr= 1--       9.915                 -0.049                -10.663
 Raman2 Fr= 1--      13.948                 13.808                  3.016
 ROA2   Fr= 1--     117.273                  9.859                -56.978
 CID2   Fr= 1--       8.408                  0.714                -18.890
 Raman3 Fr= 1--      27.897                 27.617                  6.032
 ROA3   Fr= 1--     512.302                 -1.864               -315.429
 CID3   Fr= 1--      18.364                 -0.067                -52.289
 RC180  Fr= 1--       0.080                  0.467                 -0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.02    -0.05  -0.02  -0.01     0.02   0.02   0.01
     2   6    -0.11  -0.01  -0.08    -0.10   0.02  -0.05     0.02   0.05   0.06
     3   6     0.08  -0.10   0.11    -0.02  -0.05  -0.04    -0.03  -0.07  -0.07
     4   6     0.01  -0.11   0.00    -0.06   0.05   0.03    -0.07  -0.00   0.07
     5   6    -0.08   0.11  -0.00     0.00  -0.06   0.00    -0.02  -0.00  -0.02
     6   6     0.00   0.00   0.06     0.01  -0.00  -0.02     0.02  -0.01  -0.02
     7   8     0.03   0.02   0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     8   6    -0.00  -0.02  -0.05     0.04  -0.04  -0.08     0.08  -0.01  -0.01
     9   6    -0.01   0.05   0.02     0.09   0.14   0.13    -0.09  -0.07   0.04
    10   6     0.03   0.14   0.01     0.07  -0.07  -0.03     0.06   0.12  -0.05
    11   6     0.01  -0.07  -0.07     0.01   0.03   0.02     0.02   0.01   0.03
    12   1     0.01  -0.03  -0.07     0.10   0.05   0.21    -0.03  -0.38  -0.29
    13   1     0.09   0.04   0.07    -0.02   0.35   0.04     0.29   0.05   0.17
    14   1     0.13  -0.18   0.13    -0.11  -0.18   0.00    -0.15  -0.31   0.00
    15   1     0.03   0.18  -0.13    -0.20  -0.32   0.20    -0.07   0.03  -0.03
    16   1     0.11  -0.00   0.01    -0.07   0.35   0.00     0.28   0.32   0.18
    17   1     0.12   0.18  -0.13     0.13   0.20  -0.14    -0.04  -0.08   0.03
    18   1    -0.02  -0.16   0.21    -0.01  -0.17   0.21     0.02   0.09  -0.12
    19   1     0.06   0.00   0.08     0.06  -0.04   0.13    -0.03  -0.04  -0.00
    20   1     0.18  -0.09  -0.09     0.15  -0.10  -0.06    -0.19   0.07   0.07
    21   1    -0.08   0.09   0.13    -0.04   0.02   0.08     0.13  -0.18  -0.20
    22   1     0.09  -0.02  -0.00     0.16  -0.09  -0.08     0.00  -0.09  -0.13
    23   1    -0.07   0.32  -0.18    -0.05  -0.17   0.12    -0.10   0.03   0.05
    24   1    -0.13  -0.42   0.22     0.02   0.18  -0.10     0.07  -0.04  -0.00
    25   1     0.07  -0.07  -0.31    -0.05   0.03   0.13    -0.06   0.03   0.06
    26   1     0.02   0.07   0.02    -0.02  -0.03  -0.00    -0.06   0.03   0.10
    27   1    -0.00   0.07  -0.08     0.00  -0.05  -0.03    -0.00  -0.03  -0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    905.8905               946.6624               956.6373
 Red. masses --      2.0860                 2.2203                 1.5327
 Frc consts  --      1.0086                 1.1723                 0.8264
 IR Inten    --      6.0651                 1.6034                 0.4220
 RamAct Fr= 1--     22.6077                14.4125                 4.5613
  Dep-P Fr= 1--      0.2376                 0.7456                 0.5589
  Dep-U Fr= 1--      0.3840                 0.8543                 0.7170
 Alpha2 Fr= 1--      0.2773                 0.0011                 0.0166
 Beta2  Fr= 1--      1.4469                 2.0521                 0.5451
 AlphaG Fr= 1--     -0.9395                -0.0047                -0.0137
 Gamma2 Fr= 1--     -4.2365                 2.7489                 0.9848
 Delta2 Fr= 1--      0.8746                 1.5443                -0.1004
 Raman1 Fr= 1--      90.431                 57.650                 18.245
 ROA1   Fr= 1--    -378.718                313.316                 91.332
 CID1   Fr= 1--      -4.188                  5.435                  5.006
 Raman2 Fr= 1--      17.362                 24.625                  6.541
 ROA2   Fr= 1--    -108.673                 53.620                 24.439
 CID2   Fr= 1--      -6.259                  2.178                  3.736
 Raman3 Fr= 1--      34.725                 49.249                 13.083
 ROA3   Fr= 1--    -378.718                313.316                 91.332
 CID3   Fr= 1--     -10.906                  6.362                  6.981
 RC180  Fr= 1--      -0.232                  0.709                  0.434
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.05     0.03  -0.01  -0.02    -0.03   0.11  -0.01
     2   6    -0.04  -0.02   0.02     0.01  -0.07  -0.04    -0.06  -0.00   0.07
     3   6     0.10  -0.01   0.15    -0.01  -0.13  -0.01    -0.01   0.01   0.01
     4   6    -0.00   0.12  -0.09    -0.03   0.05  -0.00     0.01  -0.01  -0.01
     5   6     0.01  -0.11   0.06    -0.00  -0.04   0.02     0.01   0.01  -0.00
     6   6    -0.02   0.01   0.04     0.01  -0.01  -0.01    -0.00   0.00  -0.00
     7   8     0.02   0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6     0.01  -0.03  -0.02    -0.07   0.00   0.03     0.06  -0.10  -0.01
     9   6    -0.05  -0.06   0.02    -0.08   0.10  -0.13    -0.05   0.02  -0.05
    10   6    -0.05   0.07  -0.05     0.12   0.02   0.14     0.02  -0.04   0.05
    11   6    -0.02   0.01  -0.06     0.02   0.02   0.01    -0.00  -0.00   0.00
    12   1    -0.02  -0.19  -0.14    -0.14   0.45  -0.27    -0.05   0.00  -0.05
    13   1     0.13  -0.08   0.10    -0.02  -0.02  -0.08    -0.05   0.15  -0.08
    14   1     0.20  -0.19   0.20    -0.03  -0.21   0.02     0.05   0.06  -0.00
    15   1    -0.13   0.06  -0.23     0.22   0.07   0.18     0.12  -0.01   0.14
    16   1     0.02  -0.04  -0.04     0.34   0.07   0.32    -0.03  -0.05   0.01
    17   1     0.04   0.08  -0.07    -0.07  -0.04   0.10     0.18   0.09  -0.33
    18   1     0.02   0.02  -0.01    -0.06   0.01   0.02     0.23   0.12  -0.28
    19   1     0.03   0.05  -0.03     0.02   0.15  -0.15    -0.07  -0.36   0.25
    20   1     0.10  -0.04  -0.07     0.10  -0.02  -0.06     0.19  -0.00  -0.27
    21   1     0.01   0.03   0.01    -0.09   0.11   0.11     0.26  -0.01  -0.27
    22   1     0.01   0.03   0.03    -0.08   0.11   0.13    -0.23   0.21   0.15
    23   1    -0.01  -0.32   0.10     0.01  -0.07   0.06     0.03  -0.01  -0.00
    24   1    -0.24   0.51  -0.22    -0.00   0.21  -0.09     0.03  -0.07   0.03
    25   1     0.05  -0.02   0.07    -0.05   0.03   0.10     0.01  -0.01  -0.02
    26   1     0.09  -0.13  -0.25    -0.03  -0.02   0.01     0.01   0.01   0.00
    27   1     0.02  -0.05   0.10     0.01  -0.05  -0.06    -0.00   0.01   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    975.8792               986.2528              1015.0798
 Red. masses --      1.8440                 1.6079                 1.5076
 Frc consts  --      1.0347                 0.9215                 0.9152
 IR Inten    --      6.2109                 7.4693                15.8205
 RamAct Fr= 1--      8.5894                26.0799                22.0772
  Dep-P Fr= 1--      0.4914                 0.1462                 0.3686
  Dep-U Fr= 1--      0.6590                 0.2552                 0.5387
 Alpha2 Fr= 1--      0.0441                 0.4070                 0.1823
 Beta2  Fr= 1--      0.9434                 1.1091                 1.9821
 AlphaG Fr= 1--      0.0480                 0.0401                -0.0284
 Gamma2 Fr= 1--     -3.8843                 1.8668                -1.3618
 Delta2 Fr= 1--     -4.1307                 0.6716                -1.0131
 Raman1 Fr= 1--      34.357                104.319                 88.309
 ROA1   Fr= 1--    -505.075                200.705               -163.150
 CID1   Fr= 1--     -14.701                  1.924                 -1.847
 Raman2 Fr= 1--      11.321                 13.309                 23.786
 ROA2   Fr= 1--     -60.178                 39.430                -24.579
 CID2   Fr= 1--      -5.316                  2.963                 -1.033
 Raman3 Fr= 1--      22.642                 26.618                 47.571
 ROA3   Fr= 1--    -505.075                200.705               -163.150
 CID3   Fr= 1--     -22.307                  7.540                 -3.430
 RC180  Fr= 1--       0.318                 -0.490                  0.077
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.11    -0.00  -0.03  -0.04     0.03   0.01   0.04
     2   6    -0.04   0.14  -0.01    -0.02   0.01   0.02     0.01  -0.00  -0.01
     3   6    -0.06  -0.08   0.02     0.02   0.05   0.06    -0.03   0.01  -0.04
     4   6     0.05   0.02  -0.05     0.02  -0.01  -0.01    -0.01   0.00   0.03
     5   6     0.03  -0.01   0.02     0.03   0.00  -0.03     0.07  -0.01  -0.08
     6   6     0.00  -0.01  -0.01    -0.02   0.01   0.03    -0.01   0.02   0.04
     7   8    -0.01  -0.00  -0.00     0.02   0.01   0.02     0.04   0.03   0.04
     8   6     0.04   0.04  -0.11     0.06   0.05  -0.01    -0.04  -0.02  -0.01
     9   6    -0.00  -0.03  -0.06    -0.12   0.01  -0.05     0.02   0.01   0.03
    10   6    -0.00   0.01   0.07     0.05  -0.10   0.03     0.02   0.00  -0.02
    11   6    -0.01   0.01   0.01    -0.05  -0.02  -0.02    -0.12  -0.03  -0.02
    12   1    -0.00  -0.06   0.07    -0.09  -0.17  -0.25     0.00   0.11  -0.00
    13   1    -0.09  -0.11  -0.08     0.03   0.44  -0.09     0.04  -0.13   0.07
    14   1     0.06  -0.18   0.05     0.03   0.16   0.03    -0.19  -0.08  -0.00
    15   1     0.21   0.14   0.11     0.11  -0.14   0.27    -0.13  -0.09  -0.06
    16   1    -0.05  -0.19  -0.02    -0.06   0.02  -0.01     0.14   0.16   0.12
    17   1    -0.06  -0.19   0.03     0.01   0.11   0.02    -0.08  -0.16   0.08
    18   1     0.08   0.11  -0.21    -0.08  -0.10   0.18     0.03   0.13  -0.17
    19   1    -0.16  -0.31   0.17     0.09   0.17  -0.07    -0.08  -0.06  -0.03
    20   1     0.03  -0.10   0.12    -0.28   0.07   0.22     0.17  -0.07  -0.11
    21   1    -0.20   0.02   0.24     0.01  -0.18  -0.07    -0.06   0.11   0.10
    22   1     0.41  -0.28  -0.24     0.12  -0.21  -0.22     0.00   0.07   0.09
    23   1     0.18  -0.01  -0.03    -0.07  -0.03  -0.01    -0.12  -0.10   0.06
    24   1     0.04   0.11  -0.03    -0.02  -0.08   0.00     0.09  -0.15  -0.02
    25   1     0.01  -0.00   0.02     0.12  -0.06  -0.14     0.24  -0.12  -0.25
    26   1     0.01  -0.01  -0.02     0.11  -0.01  -0.14     0.22  -0.02  -0.29
    27   1    -0.00   0.01   0.05    -0.01   0.10   0.22    -0.02   0.21   0.49
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1023.2936              1036.8441              1048.1019
 Red. masses --      1.1644                 1.6630                 1.6073
 Frc consts  --      0.7184                 1.0533                 1.0403
 IR Inten    --     29.7306                 3.2904                 6.8977
 RamAct Fr= 1--      1.0423                 6.7760                37.6081
  Dep-P Fr= 1--      0.5907                 0.4276                 0.2007
  Dep-U Fr= 1--      0.7427                 0.5990                 0.3344
 Alpha2 Fr= 1--      0.0031                 0.0453                 0.5097
 Beta2  Fr= 1--      0.1290                 0.6765                 2.0958
 AlphaG Fr= 1--     -0.1537                 0.3264                -0.1064
 Gamma2 Fr= 1--     -0.2443                 3.4370                -2.4334
 Delta2 Fr= 1--     -0.0467                 0.1976                 2.9291
 Raman1 Fr= 1--       4.169                 27.104                150.432
 ROA1   Fr= 1--     -24.943                336.278               -139.869
 CID1   Fr= 1--      -5.983                 12.407                 -0.930
 Raman2 Fr= 1--       1.548                  8.118                 25.149
 ROA2   Fr= 1--      -5.489                 80.909                -81.834
 CID2   Fr= 1--      -3.545                  9.967                 -3.254
 Raman3 Fr= 1--       3.097                 16.236                 50.299
 ROA3   Fr= 1--     -24.943                336.278               -139.869
 CID3   Fr= 1--      -8.055                 20.712                 -2.781
 RC180  Fr= 1--       0.485                  0.198                 -0.331
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.00     0.06   0.03   0.04     0.09   0.01  -0.05
     2   6     0.00   0.00  -0.00    -0.02  -0.00   0.02    -0.04  -0.05   0.06
     3   6    -0.03  -0.00  -0.02     0.07   0.11   0.03    -0.12  -0.03  -0.01
     4   6     0.01  -0.07   0.03     0.00  -0.06   0.03     0.06  -0.01  -0.05
     5   6     0.03  -0.05   0.01    -0.04  -0.00   0.02     0.03   0.01   0.02
     6   6    -0.01   0.03  -0.01    -0.01   0.03  -0.01     0.00   0.01  -0.02
     7   8     0.01  -0.00   0.01    -0.01  -0.01  -0.01    -0.01  -0.01   0.00
     8   6     0.01  -0.00   0.02    -0.05  -0.02  -0.07    -0.02  -0.05  -0.03
     9   6     0.02   0.00   0.00    -0.07  -0.00   0.01    -0.01   0.03   0.07
    10   6    -0.00   0.01   0.01     0.03  -0.09  -0.04    -0.01   0.06   0.01
    11   6    -0.02  -0.02   0.01     0.05  -0.01   0.01    -0.01  -0.01   0.01
    12   1     0.02   0.01   0.04    -0.06  -0.04  -0.18     0.05  -0.32   0.07
    13   1    -0.02  -0.01  -0.01     0.07   0.12   0.03     0.05   0.43   0.01
    14   1    -0.06  -0.07  -0.00     0.11   0.11   0.03    -0.03  -0.04  -0.01
    15   1     0.06   0.05   0.03    -0.21  -0.27  -0.02     0.22   0.18   0.14
    16   1    -0.01  -0.01  -0.01     0.10   0.17   0.10    -0.24  -0.10  -0.21
    17   1     0.05   0.05  -0.05    -0.13  -0.23   0.15    -0.14  -0.11   0.21
    18   1     0.01  -0.04   0.05     0.02   0.21  -0.25    -0.11   0.11  -0.04
    19   1     0.02  -0.01   0.03    -0.10  -0.02  -0.10     0.03   0.29  -0.29
    20   1    -0.05   0.04   0.01     0.27  -0.16  -0.09     0.21  -0.09  -0.14
    21   1     0.06  -0.04  -0.07    -0.19   0.18   0.26    -0.01   0.08   0.05
    22   1    -0.06   0.02   0.00     0.18  -0.02   0.04    -0.02   0.08   0.10
    23   1    -0.11   0.62  -0.27    -0.13   0.23  -0.10     0.22  -0.01  -0.04
    24   1    -0.08   0.58  -0.27    -0.12   0.11  -0.03     0.07   0.01   0.02
    25   1     0.05  -0.04  -0.13    -0.08   0.03  -0.01     0.01  -0.01  -0.05
    26   1     0.04   0.04   0.00    -0.09   0.05   0.16    -0.00   0.04   0.05
    27   1    -0.01   0.09   0.09     0.00  -0.04  -0.21    -0.01   0.04   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1051.0773              1155.3002              1195.1245
 Red. masses --      1.8581                 1.6878                 1.9370
 Frc consts  --      1.2095                 1.3273                 1.6301
 IR Inten    --      0.5821                12.3866                 3.0523
 RamAct Fr= 1--      2.5065                59.5491                12.6578
  Dep-P Fr= 1--      0.5936                 0.3698                 0.4578
  Dep-U Fr= 1--      0.7450                 0.5399                 0.6281
 Alpha2 Fr= 1--      0.0073                 0.4898                 0.0752
 Beta2  Fr= 1--      0.3112                 5.3584                 1.3250
 AlphaG Fr= 1--     -0.0357                 0.0692                -0.1048
 Gamma2 Fr= 1--     -0.6449                -3.6302                 0.5700
 Delta2 Fr= 1--     -0.1007                -0.8868                 1.1890
 Raman1 Fr= 1--      10.026                238.197                 50.631
 ROA1   Fr= 1--     -65.131               -376.879                 92.765
 CID1   Fr= 1--      -6.496                 -1.582                  1.832
 Raman2 Fr= 1--       3.735                 64.301                 15.900
 ROA2   Fr= 1--     -14.671                -80.031                  4.168
 CID2   Fr= 1--      -3.928                 -1.245                  0.262
 Raman3 Fr= 1--       7.469                128.601                 31.799
 ROA3   Fr= 1--     -65.131               -376.879                 92.765
 CID3   Fr= 1--      -8.720                 -2.931                  2.917
 RC180  Fr= 1--       0.490                  0.080                  0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.04   0.01   0.06    -0.04  -0.01  -0.04
     2   6     0.01   0.00  -0.01    -0.05  -0.02  -0.11     0.09   0.03   0.10
     3   6     0.01  -0.01   0.00     0.10  -0.12  -0.01     0.09  -0.02  -0.10
     4   6    -0.02   0.05  -0.02    -0.06   0.03   0.04    -0.13   0.01   0.08
     5   6     0.01  -0.07   0.03    -0.01  -0.02  -0.01    -0.05  -0.01  -0.01
     6   6    -0.04   0.19  -0.08     0.00  -0.01   0.00     0.04  -0.01  -0.03
     7   8     0.01  -0.03   0.02     0.01   0.01   0.01     0.03   0.01   0.02
     8   6     0.00   0.01   0.01     0.01   0.01   0.03    -0.05  -0.01  -0.06
     9   6     0.01  -0.00  -0.01     0.00   0.06  -0.01    -0.01  -0.03  -0.02
    10   6    -0.00   0.00   0.00     0.01   0.02   0.06    -0.07   0.00   0.00
    11   6     0.03  -0.14   0.06    -0.01   0.00  -0.00    -0.03  -0.00   0.01
    12   1    -0.00   0.04   0.01     0.07  -0.41   0.13     0.01  -0.13   0.04
    13   1    -0.01  -0.06  -0.00    -0.03   0.15  -0.05    -0.03   0.18  -0.07
    14   1     0.00   0.01  -0.01     0.02   0.60  -0.25     0.59   0.05  -0.14
    15   1    -0.02   0.00  -0.02    -0.13  -0.00  -0.19     0.22   0.18   0.07
    16   1     0.02  -0.01   0.01    -0.12  -0.14  -0.10     0.02  -0.10   0.03
    17   1     0.02   0.03  -0.02    -0.09  -0.22   0.09     0.07   0.16  -0.07
    18   1     0.01  -0.02   0.02     0.01   0.15  -0.18     0.01  -0.12   0.12
    19   1     0.00  -0.02   0.03    -0.12  -0.09  -0.04     0.10   0.05   0.06
    20   1    -0.04   0.02   0.02    -0.11   0.07   0.01     0.19  -0.13  -0.04
    21   1     0.01  -0.02  -0.02     0.05  -0.05  -0.07    -0.13   0.16   0.17
    22   1    -0.01  -0.01  -0.01    -0.10   0.01  -0.02     0.15   0.02   0.07
    23   1     0.04  -0.31   0.14    -0.11   0.03   0.04    -0.00   0.04   0.08
    24   1     0.00  -0.01   0.00     0.04   0.09  -0.05     0.35   0.07  -0.01
    25   1     0.02  -0.09  -0.58     0.01  -0.00  -0.00     0.06  -0.03  -0.02
    26   1    -0.07   0.35   0.47     0.01  -0.01  -0.03     0.05   0.02  -0.04
    27   1    -0.05   0.29  -0.12     0.00   0.00   0.03    -0.01   0.06   0.14
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1204.7934              1227.6541              1242.1751
 Red. masses --      1.6792                 1.4227                 1.8297
 Frc consts  --      1.4361                 1.2633                 1.6634
 IR Inten    --      5.4146                 2.7977                 5.1363
 RamAct Fr= 1--     18.4787                37.4130                15.6696
  Dep-P Fr= 1--      0.3082                 0.4636                 0.3296
  Dep-U Fr= 1--      0.4712                 0.6335                 0.4958
 Alpha2 Fr= 1--      0.1849                 0.2169                 0.1468
 Beta2  Fr= 1--      1.4511                 3.9501                 1.2949
 AlphaG Fr= 1--      0.2996                 0.0610                 0.0877
 Gamma2 Fr= 1--      4.2340                 1.6244                 2.1041
 Delta2 Fr= 1--     -0.1478                 1.6341                 1.1966
 Raman1 Fr= 1--      73.915                149.652                 62.678
 ROA1   Fr= 1--     401.735                208.232                240.285
 CID1   Fr= 1--       5.435                  1.391                  3.834
 Raman2 Fr= 1--      17.413                 47.401                 15.539
 ROA2   Fr= 1--     102.799                 25.912                 40.925
 CID2   Fr= 1--       5.904                  0.547                  2.634
 Raman3 Fr= 1--      34.826                 94.803                 31.077
 ROA3   Fr= 1--     401.735                208.232                240.285
 CID3   Fr= 1--      11.536                  2.196                  7.732
 RC180  Fr= 1--      -0.058                  0.267                 -0.008
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.04   0.01     0.04   0.02   0.04    -0.00  -0.06   0.02
     2   6     0.15  -0.06   0.00    -0.08  -0.03  -0.08     0.05   0.18  -0.08
     3   6    -0.00  -0.08   0.03     0.04   0.01  -0.01     0.04   0.00   0.00
     4   6     0.03   0.02  -0.02    -0.05  -0.00   0.02     0.01   0.02   0.01
     5   6     0.01  -0.01  -0.00    -0.02  -0.00   0.00     0.02  -0.00  -0.01
     6   6    -0.00  -0.00   0.01     0.01  -0.00  -0.01    -0.03   0.01   0.03
     7   8    -0.01  -0.00  -0.01     0.01   0.01   0.01    -0.00  -0.00  -0.01
     8   6    -0.06   0.03  -0.03     0.03   0.02   0.03    -0.03  -0.07   0.03
     9   6    -0.05  -0.02   0.07    -0.01  -0.04   0.09    -0.06   0.08   0.01
    10   6     0.02   0.03  -0.07     0.01  -0.00  -0.06    -0.02  -0.07  -0.04
    11   6     0.01   0.00  -0.00    -0.01  -0.00   0.00     0.02   0.00  -0.01
    12   1    -0.06   0.10  -0.18    -0.08   0.51  -0.22     0.01  -0.40  -0.05
    13   1     0.15   0.09   0.13     0.10  -0.06   0.14     0.10  -0.39   0.18
    14   1    -0.40   0.46  -0.14     0.33  -0.11   0.02    -0.03  -0.10   0.04
    15   1     0.20   0.07   0.25     0.31   0.09   0.31     0.33   0.04   0.38
    16   1    -0.13   0.09  -0.17    -0.26   0.00  -0.26    -0.09  -0.02  -0.07
    17   1     0.11   0.08  -0.20    -0.05  -0.14   0.05    -0.07  -0.04   0.14
    18   1     0.14  -0.05  -0.04    -0.01   0.12  -0.12    -0.10  -0.09   0.16
    19   1     0.00  -0.16   0.19    -0.10  -0.06  -0.06     0.02   0.01   0.00
    20   1     0.04  -0.07   0.07    -0.12   0.07   0.04     0.11   0.02  -0.21
    21   1    -0.18   0.11   0.21     0.04  -0.08  -0.07     0.13   0.12  -0.09
    22   1     0.10   0.00   0.03    -0.07  -0.03  -0.06    -0.15   0.15   0.17
    23   1    -0.06   0.00  -0.02     0.07   0.01   0.02    -0.13  -0.03   0.02
    24   1    -0.19   0.00  -0.02     0.20   0.04   0.00    -0.14  -0.03  -0.02
    25   1    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.03   0.01  -0.01
    26   1    -0.01  -0.01   0.00     0.01   0.00  -0.01    -0.02  -0.02   0.00
    27   1     0.00  -0.01  -0.02    -0.00   0.01   0.02     0.00  -0.03  -0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1251.8670              1271.0663              1280.9407
 Red. masses --      1.5291                 1.6941                 1.8649
 Frc consts  --      1.4119                 1.6126                 1.8028
 IR Inten    --     16.9308                93.1773                38.4718
 RamAct Fr= 1--     19.8483                48.9511                 5.2229
  Dep-P Fr= 1--      0.4020                 0.2722                 0.3898
  Dep-U Fr= 1--      0.5734                 0.4279                 0.5609
 Alpha2 Fr= 1--      0.1460                 0.5447                 0.0401
 Beta2  Fr= 1--      1.8969                 3.4913                 0.4883
 AlphaG Fr= 1--     -0.0344                 0.0144                -0.0533
 Gamma2 Fr= 1--      1.0414                 0.8611                -0.6133
 Delta2 Fr= 1--     -0.3557                 0.2333                 0.0049
 Raman1 Fr= 1--      79.393                195.804                 20.892
 ROA1   Fr= 1--      88.591                 90.126                -58.722
 CID1   Fr= 1--       1.116                  0.460                 -2.811
 Raman2 Fr= 1--      22.763                 41.895                  5.859
 ROA2   Fr= 1--      27.839                 18.799                -14.758
 CID2   Fr= 1--       1.223                  0.449                 -2.519
 Raman3 Fr= 1--      45.526                 83.791                 11.718
 ROA3   Fr= 1--      88.591                 90.126                -58.722
 CID3   Fr= 1--       1.946                  1.076                 -5.011
 RC180  Fr= 1--       0.147                 -0.144                  0.122
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02     0.01  -0.00  -0.01    -0.03   0.01   0.01
     2   6    -0.02  -0.03  -0.03    -0.04   0.01   0.03     0.08  -0.02  -0.03
     3   6     0.09   0.01  -0.06    -0.04  -0.04   0.05     0.00   0.04  -0.07
     4   6     0.02   0.03   0.05    -0.01  -0.02  -0.04    -0.01   0.01   0.02
     5   6     0.05  -0.00  -0.03     0.03  -0.01  -0.04     0.04  -0.02  -0.06
     6   6    -0.04   0.01   0.05    -0.13   0.04   0.14    -0.12   0.04   0.14
     7   8    -0.01  -0.01  -0.02     0.03  -0.00  -0.02     0.02  -0.01  -0.02
     8   6    -0.00   0.01   0.00     0.01   0.00  -0.01    -0.03   0.00   0.00
     9   6     0.05  -0.04   0.02     0.03   0.01  -0.00    -0.04  -0.02   0.00
    10   6    -0.12  -0.01   0.00    -0.05  -0.01  -0.07     0.08   0.03   0.10
    11   6     0.03   0.00  -0.01     0.04   0.00  -0.01     0.05   0.00  -0.02
    12   1     0.04   0.04   0.09     0.03   0.03   0.06    -0.03  -0.04  -0.08
    13   1    -0.12   0.47  -0.17    -0.02  -0.07  -0.01     0.03   0.14  -0.00
    14   1    -0.22  -0.27   0.04     0.02   0.35  -0.08     0.01  -0.39   0.07
    15   1     0.31   0.25   0.14     0.12   0.05   0.13    -0.23  -0.08  -0.23
    16   1     0.21  -0.07   0.23     0.34   0.19   0.28    -0.43  -0.22  -0.36
    17   1    -0.01  -0.06   0.00    -0.00   0.03   0.02     0.02  -0.01  -0.06
    18   1     0.02   0.06  -0.08    -0.03   0.01  -0.00     0.06  -0.04   0.01
    19   1    -0.04  -0.03  -0.02     0.01   0.04  -0.03     0.00  -0.07   0.08
    20   1    -0.03   0.01   0.02    -0.00   0.00   0.00     0.02  -0.02   0.01
    21   1    -0.02  -0.01   0.01     0.01  -0.03  -0.02    -0.04   0.05   0.05
    22   1    -0.01  -0.01  -0.02     0.01  -0.02  -0.03     0.01   0.03   0.04
    23   1    -0.32  -0.07   0.05     0.15   0.03  -0.05    -0.12  -0.03   0.03
    24   1    -0.34  -0.09  -0.03     0.61   0.11  -0.05     0.30   0.01  -0.05
    25   1    -0.04   0.02  -0.01    -0.05   0.03  -0.11    -0.06   0.03  -0.11
    26   1    -0.04  -0.03   0.01    -0.03  -0.11  -0.05    -0.03  -0.12  -0.05
    27   1     0.01  -0.04  -0.09    -0.01  -0.13  -0.28    -0.00  -0.11  -0.26
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1289.9519              1303.8882              1337.3784
 Red. masses --      2.0363                 1.9694                 1.3621
 Frc consts  --      1.9964                 1.9727                 1.4354
 IR Inten    --      7.9247                11.5479                 0.5005
 RamAct Fr= 1--      7.0171                 1.5235                31.4266
  Dep-P Fr= 1--      0.5433                 0.4584                 0.2622
  Dep-U Fr= 1--      0.7041                 0.6286                 0.4154
 Alpha2 Fr= 1--      0.0278                 0.0090                 0.3599
 Beta2  Fr= 1--      0.8234                 0.1596                 2.1758
 AlphaG Fr= 1--     -0.0551                -0.0137                 0.0184
 Gamma2 Fr= 1--     -4.1292                 0.0087                 0.6787
 Delta2 Fr= 1--     -4.7758                -0.4340                 0.1106
 Raman1 Fr= 1--      28.069                  6.094                125.707
 ROA1   Fr= 1--    -549.223                -13.049                 68.697
 CID1   Fr= 1--     -19.567                 -2.141                  0.546
 Raman2 Fr= 1--       9.881                  1.915                 26.110
 ROA2   Fr= 1--     -60.893                  3.681                 15.405
 CID2   Fr= 1--      -6.162                  1.922                  0.590
 Raman3 Fr= 1--      19.763                  3.831                 52.219
 ROA3   Fr= 1--    -549.223                -13.049                 68.697
 CID3   Fr= 1--     -27.791                 -3.406                  1.316
 RC180  Fr= 1--       0.408                  0.257                 -0.169
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07  -0.02    -0.03  -0.01   0.04    -0.00   0.01  -0.00
     2   6    -0.06   0.20   0.07     0.11   0.08  -0.18     0.01  -0.00  -0.02
     3   6     0.01  -0.07  -0.01    -0.03   0.02   0.08    -0.03   0.00   0.02
     4   6     0.02   0.02   0.02    -0.02  -0.02  -0.07    -0.01   0.04   0.10
     5   6     0.03  -0.00  -0.01    -0.06   0.00   0.04     0.00  -0.05  -0.12
     6   6    -0.01   0.00   0.02     0.04  -0.01  -0.04    -0.02   0.01   0.03
     7   8    -0.01  -0.00  -0.01     0.01   0.01   0.01     0.00  -0.00  -0.01
     8   6     0.01  -0.07  -0.01    -0.02  -0.04   0.04    -0.00  -0.00   0.00
     9   6     0.01  -0.16   0.01    -0.01  -0.08   0.04    -0.00  -0.00   0.00
    10   6     0.04   0.04   0.02    -0.02  -0.01  -0.00     0.00  -0.00  -0.01
    11   6     0.01   0.00  -0.00    -0.02  -0.00   0.01     0.00   0.01   0.01
    12   1    -0.10   0.56  -0.16    -0.01  -0.02  -0.08    -0.00  -0.01   0.02
    13   1    -0.07   0.22  -0.11    -0.09   0.62  -0.17     0.02   0.06  -0.00
    14   1    -0.11   0.36  -0.15    -0.02  -0.11   0.12     0.23   0.04   0.01
    15   1    -0.19  -0.08  -0.12    -0.10  -0.05  -0.06    -0.02  -0.01  -0.04
    16   1    -0.10  -0.08  -0.12     0.21   0.05   0.18     0.04   0.05   0.04
    17   1    -0.04   0.11   0.16    -0.04  -0.11   0.02    -0.03  -0.02   0.02
    18   1    -0.16  -0.02   0.09     0.04  -0.06   0.06    -0.00  -0.01   0.03
    19   1     0.08   0.16  -0.09    -0.04  -0.14   0.11    -0.00  -0.05   0.03
    20   1     0.09  -0.01  -0.16    -0.06   0.08  -0.09    -0.02   0.01   0.01
    21   1     0.10   0.10  -0.06     0.05   0.12   0.02    -0.00   0.01   0.01
    22   1    -0.02   0.06   0.08    -0.17   0.14   0.13    -0.02   0.01   0.01
    23   1    -0.14   0.01   0.01     0.25   0.00  -0.06     0.76   0.19   0.12
    24   1    -0.20  -0.01  -0.03     0.34   0.08   0.04    -0.46  -0.14  -0.12
    25   1    -0.02   0.01  -0.00     0.04  -0.02   0.03     0.01   0.00  -0.07
    26   1    -0.01  -0.02   0.00     0.03   0.04   0.00     0.02  -0.05  -0.04
    27   1     0.00  -0.01  -0.03    -0.01   0.03   0.07    -0.02  -0.05  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1377.7826              1389.0310              1405.6719
 Red. masses --      1.4893                 1.3438                 1.2754
 Frc consts  --      1.6657                 1.5276                 1.4848
 IR Inten    --     11.2261                36.5652                 8.8928
 RamAct Fr= 1--      1.9311                 0.8990                 0.9257
  Dep-P Fr= 1--      0.4588                 0.6553                 0.4806
  Dep-U Fr= 1--      0.6290                 0.7918                 0.6492
 Alpha2 Fr= 1--      0.0114                 0.0015                 0.0050
 Beta2  Fr= 1--      0.2024                 0.1186                 0.1002
 AlphaG Fr= 1--      0.0169                 0.0009                -0.0074
 Gamma2 Fr= 1--     -0.5570                -0.0970                -0.2304
 Delta2 Fr= 1--      0.2478                 0.1406                -0.0393
 Raman1 Fr= 1--       7.724                  3.596                  3.703
 ROA1   Fr= 1--     -45.548                 -4.812                -23.377
 CID1   Fr= 1--      -5.897                 -1.338                 -6.313
 Raman2 Fr= 1--       2.429                  1.424                  1.202
 ROA2   Fr= 1--     -15.351                 -3.452                 -5.215
 CID2   Fr= 1--      -6.319                 -2.425                 -4.338
 Raman3 Fr= 1--       4.858                  2.847                  2.404
 ROA3   Fr= 1--     -45.548                 -4.812                -23.377
 CID3   Fr= 1--      -9.375                 -1.690                 -9.725
 RC180  Fr= 1--       0.258                  0.584                  0.298
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.00     0.00  -0.00  -0.00    -0.03  -0.06   0.07
     2   6     0.03  -0.02  -0.05    -0.00   0.00   0.01     0.02   0.01  -0.03
     3   6    -0.14  -0.03   0.00     0.03   0.01  -0.00    -0.02  -0.00   0.01
     4   6     0.03   0.01   0.01    -0.01   0.00   0.01     0.00   0.00   0.00
     5   6     0.10   0.03   0.02    -0.01  -0.02  -0.04     0.00  -0.00  -0.00
     6   6    -0.02   0.01   0.03    -0.04   0.01   0.05     0.00  -0.00  -0.00
     7   8    -0.02  -0.01  -0.01     0.01   0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.08   0.04   0.07
     9   6     0.00  -0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.01
    10   6     0.01   0.00  -0.02    -0.00  -0.00   0.01     0.00   0.00  -0.00
    11   6     0.02  -0.01  -0.04     0.03  -0.06  -0.14     0.00   0.00   0.00
    12   1     0.01  -0.01   0.01    -0.00   0.00   0.00    -0.00  -0.02  -0.02
    13   1     0.02   0.08   0.00    -0.00  -0.01   0.00    -0.00   0.05  -0.01
    14   1     0.75   0.11  -0.06    -0.15  -0.02   0.01     0.07  -0.01   0.01
    15   1    -0.05  -0.03  -0.06     0.01   0.01   0.01    -0.02  -0.02   0.02
    16   1     0.09   0.12   0.07    -0.02  -0.02  -0.02     0.02  -0.01   0.01
    17   1    -0.03  -0.07  -0.02     0.01   0.02   0.00     0.25   0.22  -0.18
    18   1     0.05  -0.05   0.05    -0.02   0.01  -0.01     0.04   0.15  -0.36
    19   1    -0.01  -0.07   0.06    -0.00   0.01  -0.01     0.00   0.31  -0.15
    20   1    -0.04   0.01   0.02     0.01  -0.01  -0.00     0.39  -0.05  -0.18
    21   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.17  -0.13  -0.38
    22   1    -0.02   0.02   0.02     0.01  -0.01  -0.00     0.25  -0.31  -0.13
    23   1    -0.42  -0.07  -0.01     0.19   0.04   0.02     0.02  -0.00   0.01
    24   1    -0.24  -0.03   0.03     0.10   0.00  -0.04    -0.02  -0.01  -0.00
    25   1    -0.08   0.01   0.13    -0.11  -0.04   0.57    -0.00   0.00  -0.01
    26   1    -0.09   0.06   0.11    -0.19   0.39   0.38    -0.00  -0.01  -0.00
    27   1     0.05   0.06   0.11     0.12   0.20   0.41     0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.8678              1471.5776              1480.1373
 Red. masses --      1.2269                 1.0569                 1.0473
 Frc consts  --      1.4635                 1.3485                 1.3518
 IR Inten    --      3.3028                 9.8168                 9.7577
 RamAct Fr= 1--      0.7905                 4.0441                 5.0241
  Dep-P Fr= 1--      0.6977                 0.7342                 0.7500
  Dep-U Fr= 1--      0.8219                 0.8468                 0.8571
 Alpha2 Fr= 1--      0.0007                 0.0011                 0.0000
 Beta2  Fr= 1--      0.1083                 0.5707                 0.7177
 AlphaG Fr= 1--      0.0029                 0.0023                 0.0002
 Gamma2 Fr= 1--     -0.2110                -0.5307                 2.0131
 Delta2 Fr= 1--     -0.0538                -0.2580                 1.4534
 Raman1 Fr= 1--       3.162                 16.176                 20.096
 ROA1   Fr= 1--     -21.979                -59.203                239.766
 CID1   Fr= 1--      -6.951                 -3.660                 11.931
 Raman2 Fr= 1--       1.299                  6.849                  8.613
 ROA2   Fr= 1--      -4.634                -10.673                 36.687
 CID2   Fr= 1--      -3.566                 -1.558                  4.260
 Raman3 Fr= 1--       2.599                 13.697                 17.225
 ROA3   Fr= 1--     -21.979                -59.203                239.766
 CID3   Fr= 1--      -8.457                 -4.322                 13.919
 RC180  Fr= 1--       0.644                  0.694                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.07  -0.07     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00   0.01   0.02     0.00  -0.02   0.01
     7   8     0.00   0.00   0.00    -0.02  -0.01  -0.02    -0.00   0.00  -0.00
     8   6    -0.06   0.04   0.05    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6     0.01  -0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00  -0.00   0.00    -0.05  -0.01   0.01     0.01  -0.05   0.02
    12   1    -0.00   0.02  -0.06    -0.00   0.00   0.01    -0.00   0.00   0.01
    13   1    -0.06   0.01  -0.03     0.01   0.00   0.00     0.01   0.00   0.00
    14   1    -0.06   0.02  -0.01     0.03   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.02  -0.01   0.02     0.01   0.01  -0.02    -0.01  -0.01   0.02
    16   1     0.01  -0.03  -0.00    -0.01   0.02  -0.00     0.01  -0.02  -0.00
    17   1    -0.28  -0.29   0.17     0.00   0.01   0.00    -0.03   0.00   0.03
    18   1     0.00  -0.19   0.40    -0.01   0.01  -0.01     0.04  -0.01  -0.03
    19   1    -0.01  -0.34   0.17    -0.00  -0.01   0.00     0.05   0.02   0.04
    20   1     0.36  -0.07  -0.12     0.00  -0.01   0.01     0.01   0.01  -0.03
    21   1     0.12  -0.16  -0.32     0.00  -0.00  -0.00    -0.02  -0.01   0.02
    22   1     0.22  -0.26  -0.12     0.00   0.01   0.01    -0.03  -0.02  -0.03
    23   1    -0.00   0.01  -0.01    -0.05  -0.01   0.00     0.00  -0.00   0.00
    24   1     0.02   0.01  -0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    25   1     0.01  -0.00   0.00     0.53  -0.17   0.30    -0.42   0.08   0.21
    26   1     0.01   0.01  -0.00     0.41   0.49   0.02     0.40   0.03  -0.26
    27   1    -0.00  -0.00  -0.00    -0.11  -0.18  -0.38    -0.12   0.65  -0.28
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.1638              1485.1971              1492.4537
 Red. masses --      1.0673                 1.0452                 1.0649
 Frc consts  --      1.3834                 1.3583                 1.3975
 IR Inten    --      1.3267                 1.5347                 6.0018
 RamAct Fr= 1--      6.2652                10.3064                 6.5121
  Dep-P Fr= 1--      0.7297                 0.7328                 0.7493
  Dep-U Fr= 1--      0.8437                 0.8458                 0.8567
 Alpha2 Fr= 1--      0.0022                 0.0030                 0.0001
 Beta2  Fr= 1--      0.8810                 1.4529                 0.9298
 AlphaG Fr= 1--     -0.0160                 0.0058                 0.0022
 Gamma2 Fr= 1--     -1.8922                -1.5551                 1.8029
 Delta2 Fr= 1--     -0.8219                -0.5300                 0.5910
 Raman1 Fr= 1--      25.061                 41.226                 26.048
 ROA1   Fr= 1--    -207.949               -166.248                191.991
 CID1   Fr= 1--      -8.298                 -4.033                  7.371
 Raman2 Fr= 1--      10.572                 17.434                 11.158
 ROA2   Fr= 1--     -38.837                -33.083                 38.542
 CID2   Fr= 1--      -3.673                 -1.898                  3.454
 Raman3 Fr= 1--      21.144                 34.869                 22.315
 ROA3   Fr= 1--    -207.949               -166.248                191.991
 CID3   Fr= 1--      -9.835                 -4.768                  8.604
 RC180  Fr= 1--       0.687                  0.692                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.04  -0.00  -0.02    -0.02   0.02   0.02
     2   6    -0.01  -0.00   0.01    -0.01   0.00   0.00    -0.01   0.01   0.02
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.02   0.01     0.03   0.01   0.03    -0.00  -0.02   0.01
     9   6    -0.02  -0.01  -0.04     0.00   0.00   0.00     0.02   0.00   0.02
    10   6    -0.00   0.04  -0.02    -0.00   0.00  -0.00     0.00  -0.04   0.02
    11   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    12   1    -0.04   0.10   0.36    -0.00   0.00   0.00     0.02  -0.04  -0.22
    13   1     0.35   0.06   0.12     0.00  -0.00   0.01    -0.22  -0.07  -0.07
    14   1    -0.01  -0.00  -0.00     0.00   0.00  -0.00    -0.03   0.02  -0.00
    15   1    -0.15  -0.18   0.27    -0.01  -0.01   0.03     0.17   0.20  -0.30
    16   1     0.15  -0.33  -0.01     0.01  -0.03  -0.01    -0.17   0.36   0.01
    17   1    -0.00  -0.26  -0.17    -0.20  -0.06   0.21     0.02  -0.34  -0.25
    18   1     0.21  -0.15   0.09     0.36  -0.10  -0.21     0.29  -0.20   0.10
    19   1    -0.04   0.15  -0.12     0.37   0.22   0.26    -0.05   0.23  -0.17
    20   1    -0.19   0.14  -0.10     0.09   0.16  -0.31    -0.15   0.13  -0.12
    21   1     0.14   0.31  -0.03    -0.17  -0.09   0.23     0.11   0.26  -0.00
    22   1     0.19  -0.09   0.02    -0.33  -0.17  -0.31     0.15  -0.10  -0.01
    23   1    -0.00   0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    25   1     0.02  -0.01   0.00     0.05  -0.01  -0.02    -0.01   0.00   0.01
    26   1     0.00   0.01   0.00    -0.04   0.01   0.03     0.01   0.00  -0.01
    27   1    -0.00  -0.01  -0.01     0.01  -0.07   0.03    -0.00   0.02  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.9772              1505.3942              1509.0072
 Red. masses --      1.0905                 1.0666                 1.0665
 Frc consts  --      1.4494                 1.4241                 1.4308
 IR Inten    --      3.7765                 9.3533                 6.0435
 RamAct Fr= 1--      7.7529                 6.5743                 0.4174
  Dep-P Fr= 1--      0.6587                 0.7385                 0.4626
  Dep-U Fr= 1--      0.7942                 0.8496                 0.6326
 Alpha2 Fr= 1--      0.0126                 0.0013                 0.0024
 Beta2  Fr= 1--      1.0262                 0.9309                 0.0440
 AlphaG Fr= 1--     -0.0098                -0.0098                -0.0054
 Gamma2 Fr= 1--     -1.2023                -0.1090                -0.1361
 Delta2 Fr= 1--      0.2155                 0.9919                 0.1268
 Raman1 Fr= 1--      31.012                 26.297                  1.670
 ROA1   Fr= 1--    -108.526                 21.272                 -9.011
 CID1   Fr= 1--      -3.500                  0.809                 -5.397
 Raman2 Fr= 1--      12.315                 11.171                  0.528
 ROA2   Fr= 1--     -30.579                -10.552                 -4.282
 CID2   Fr= 1--      -2.483                 -0.945                 -8.110
 Raman3 Fr= 1--      24.630                 22.342                  1.056
 ROA3   Fr= 1--    -108.526                 21.272                 -9.011
 CID3   Fr= 1--      -4.406                  0.952                 -8.533
 RC180  Fr= 1--       0.588                  0.699                  0.265
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.00     0.01  -0.01  -0.03    -0.02  -0.01  -0.02
     2   6    -0.02   0.03  -0.02    -0.00  -0.03  -0.01    -0.03  -0.02  -0.02
     3   6     0.01  -0.00   0.01     0.00   0.00   0.01     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.01   0.02  -0.02    -0.02  -0.02   0.02    -0.02  -0.01  -0.02
     9   6    -0.03  -0.02  -0.04    -0.02  -0.01  -0.02     0.02   0.02   0.03
    10   6     0.00  -0.04   0.01    -0.00  -0.03   0.02    -0.00   0.02  -0.01
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1    -0.05   0.12   0.36    -0.03   0.06   0.24     0.04  -0.06  -0.25
    13   1     0.36   0.09   0.12     0.24   0.06   0.08    -0.25  -0.07  -0.08
    14   1    -0.04   0.01   0.01    -0.02  -0.01   0.01     0.01  -0.01   0.00
    15   1     0.13   0.13  -0.20     0.13   0.14  -0.21    -0.07  -0.08   0.13
    16   1    -0.11   0.25   0.01    -0.12   0.27   0.01     0.07  -0.15  -0.00
    17   1    -0.09  -0.15   0.02    -0.08   0.29   0.28    -0.17   0.03   0.23
    18   1     0.24  -0.11  -0.05    -0.19   0.16  -0.13     0.23  -0.02  -0.22
    19   1     0.14   0.17   0.05     0.13  -0.19   0.23     0.32   0.13   0.25
    20   1     0.16  -0.26   0.31    -0.19   0.19  -0.16    -0.17  -0.11   0.28
    21   1    -0.03  -0.30  -0.16     0.17   0.35  -0.04     0.18   0.14  -0.21
    22   1    -0.01   0.22   0.19     0.24  -0.18  -0.02     0.33   0.15   0.29
    23   1     0.00  -0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01  -0.00
    24   1     0.01   0.00   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    25   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01     0.01  -0.00   0.00
    26   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00    -0.01   0.00   0.01
    27   1     0.00   0.00   0.01     0.00  -0.00   0.01     0.00  -0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.3405              1736.6947              3021.4584
 Red. masses --      5.8293                 9.9153                 1.0347
 Frc consts  --      9.8714                17.6198                 5.5652
 IR Inten    --     64.9537               287.7338                25.3744
 RamAct Fr= 1--    510.8791               238.6871                34.2688
  Dep-P Fr= 1--      0.2802                 0.3464                 0.0680
  Dep-U Fr= 1--      0.4377                 0.5146                 0.1274
 Alpha2 Fr= 1--      5.5554                 2.1199                 0.6483
 Beta2  Fr= 1--     37.2694                20.4704                 0.7277
 AlphaG Fr= 1--     -0.1674                -0.0063                 0.0958
 Gamma2 Fr= 1--     -2.0789                 1.2321                -1.8685
 Delta2 Fr= 1--      1.1446                -0.2730                -1.7194
 Raman1 Fr= 1--    2043.516                954.748                137.075
 ROA1   Fr= 1--    -162.951                109.544               -234.400
 CID1   Fr= 1--      -0.080                  0.115                 -1.710
 Raman2 Fr= 1--     447.233                245.644                  8.733
 ROA2   Fr= 1--     -59.051                 31.754                -31.090
 CID2   Fr= 1--      -0.132                  0.129                 -3.560
 Raman3 Fr= 1--     894.466                491.289                 17.466
 ROA3   Fr= 1--    -162.951                109.544               -234.400
 CID3   Fr= 1--      -0.182                  0.223                -13.421
 RC180  Fr= 1--      -0.125                  0.029                 -0.745
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.02   0.01
     2   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.08  -0.02   0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.43   0.14   0.14    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     5   6    -0.40  -0.14  -0.14    -0.06  -0.03  -0.03     0.00   0.00   0.00
     6   6    -0.00  -0.01  -0.02     0.54   0.27   0.39     0.00  -0.00  -0.00
     7   8     0.05   0.02   0.02    -0.35  -0.18  -0.25    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03   0.02   0.02
     9   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.03  -0.02  -0.03    -0.00   0.00   0.00
    12   1     0.00   0.01   0.01    -0.00   0.00   0.00    -0.02  -0.00   0.00
    13   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.01
    14   1     0.22   0.04  -0.02    -0.00   0.00  -0.00    -0.00   0.01   0.02
    15   1     0.02   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.01  -0.00
    16   1     0.01   0.04   0.03     0.00   0.00   0.01    -0.01  -0.00   0.01
    17   1    -0.02  -0.01   0.02    -0.00  -0.00  -0.00    -0.24   0.10  -0.16
    18   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.12   0.22   0.13
    19   1     0.01   0.00   0.01    -0.00   0.00  -0.00     0.14  -0.09  -0.13
    20   1    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.21  -0.41  -0.24
    21   1     0.01  -0.01  -0.01     0.00  -0.00  -0.01     0.42  -0.16   0.30
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.14   0.30  -0.31
    23   1    -0.54  -0.03   0.16    -0.01   0.00   0.01    -0.00   0.00   0.00
    24   1     0.39  -0.01  -0.18     0.30   0.05  -0.01     0.00   0.00   0.00
    25   1     0.04  -0.02   0.00    -0.09   0.02  -0.19    -0.00  -0.00  -0.00
    26   1     0.03   0.03  -0.01    -0.05  -0.17  -0.11    -0.00   0.00  -0.00
    27   1    -0.01   0.00   0.01     0.05   0.13   0.27     0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.8051              3040.4778              3050.4954
 Red. masses --      1.0360                 1.0372                 1.0581
 Frc consts  --      5.5922                 5.6491                 5.8009
 IR Inten    --     25.7045                 4.3117                43.5468
 RamAct Fr= 1--    277.2580               142.3426               152.4087
  Dep-P Fr= 1--      0.0273                 0.0070                 0.1046
  Dep-U Fr= 1--      0.0532                 0.0139                 0.1893
 Alpha2 Fr= 1--      5.7787                 3.1118                 2.6388
 Beta2  Fr= 1--      2.4592                 0.3304                 4.8089
 AlphaG Fr= 1--     -1.0342                -0.4771                -0.0424
 Gamma2 Fr= 1--      2.8579                 0.1233                -2.1285
 Delta2 Fr= 1--     -0.6928                 1.3245                -3.4467
 Raman1 Fr= 1--    1109.032                569.370                609.635
 ROA1   Fr= 1--     252.186                 54.219               -314.635
 CID1   Fr= 1--       0.227                  0.095                 -0.516
 Raman2 Fr= 1--      29.511                  3.965                 57.707
 ROA2   Fr= 1--      74.131                 -7.637                -23.511
 CID2   Fr= 1--       2.512                 -1.926                 -0.407
 Raman3 Fr= 1--      59.022                  7.930                115.414
 ROA3   Fr= 1--     252.186                 54.219               -314.635
 CID3   Fr= 1--       4.273                  6.837                 -2.726
 RC180  Fr= 1--      -0.894                 -0.972                 -0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
     4   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.02   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.03  -0.02  -0.06
    10   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    11   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00   0.00   0.00
    12   1    -0.07  -0.01   0.00     0.00   0.00   0.00     0.63   0.09  -0.00
    13   1     0.03  -0.01  -0.07    -0.00   0.00   0.00    -0.30   0.15   0.66
    14   1    -0.00   0.02   0.04    -0.00  -0.00  -0.00    -0.00   0.03   0.08
    15   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.08  -0.11  -0.04
    16   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.03  -0.01   0.04
    17   1     0.45  -0.18   0.30    -0.00   0.00  -0.00     0.04  -0.02   0.03
    18   1    -0.23  -0.41  -0.24     0.00   0.00   0.00    -0.03  -0.05  -0.03
    19   1    -0.27   0.18   0.25     0.00  -0.00  -0.00    -0.01   0.01   0.01
    20   1    -0.11  -0.21  -0.13     0.00   0.00   0.00    -0.02  -0.04  -0.02
    21   1     0.22  -0.09   0.15    -0.00   0.00  -0.00     0.02  -0.01   0.01
    22   1     0.08   0.17  -0.17    -0.00  -0.00   0.00     0.01   0.03  -0.03
    23   1     0.00  -0.01  -0.01     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    24   1     0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
    25   1     0.00   0.00   0.00     0.17   0.62   0.02    -0.00  -0.00  -0.00
    26   1     0.00  -0.00   0.00     0.35  -0.34   0.44    -0.00   0.00  -0.00
    27   1    -0.00  -0.00   0.00    -0.38  -0.04   0.08     0.00   0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3061.7898              3069.5982              3080.1243
 Red. masses --      1.0783                 1.0674                 1.1018
 Frc consts  --      5.9558                 5.9255                 6.1586
 IR Inten    --     19.1590                23.8673                 2.0379
 RamAct Fr= 1--     35.0714               240.4810                11.7158
  Dep-P Fr= 1--      0.7304                 0.0223                 0.6068
  Dep-U Fr= 1--      0.8442                 0.0437                 0.7553
 Alpha2 Fr= 1--      0.0118                 5.0715                 0.0309
 Beta2  Fr= 1--      4.9347                 1.7521                 1.4748
 AlphaG Fr= 1--     -0.0791                 0.5253                 0.0548
 Gamma2 Fr= 1--     12.7782                -9.8273                 3.8193
 Delta2 Fr= 1--     -0.1313                -9.5151                 1.2252
 Raman1 Fr= 1--     140.286                961.924                 46.863
 ROA1   Fr= 1--    1222.507              -1247.906                405.859
 CID1   Fr= 1--       8.714                 -1.297                  8.661
 Raman2 Fr= 1--      59.216                 21.026                 17.697
 ROA2   Fr= 1--     307.728               -159.734                 81.861
 CID2   Fr= 1--       5.197                 -7.597                  4.626
 Raman3 Fr= 1--     118.432                 42.051                 35.395
 ROA3   Fr= 1--    1222.507              -1247.906                405.859
 CID3   Fr= 1--      10.322                -29.676                 11.467
 RC180  Fr= 1--       0.688                 -0.913                  0.511
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.02  -0.04
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.02  -0.07     0.00   0.01   0.04     0.00   0.00   0.01
     4   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00    -0.01   0.01  -0.01     0.04   0.01   0.04
     9   6     0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.01   0.00   0.00
    10   6    -0.00  -0.03   0.02     0.01  -0.06   0.02     0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.04  -0.01  -0.00     0.06   0.01  -0.00     0.06   0.01   0.00
    13   1    -0.01   0.00   0.02    -0.06   0.03   0.14     0.02  -0.01  -0.04
    14   1     0.02   0.26   0.81    -0.01  -0.14  -0.45    -0.00  -0.02  -0.07
    15   1    -0.19   0.25   0.09    -0.38   0.52   0.18    -0.03   0.05   0.01
    16   1     0.22   0.08  -0.30     0.31   0.11  -0.41    -0.00  -0.00   0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.41  -0.18   0.28
    18   1     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.21   0.40   0.22
    19   1     0.01  -0.01  -0.01    -0.02   0.01   0.02     0.05  -0.04  -0.07
    20   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01    -0.17  -0.36  -0.21
    21   1    -0.05   0.02  -0.03     0.09  -0.03   0.06    -0.37   0.15  -0.25
    22   1    -0.00  -0.00   0.01    -0.02  -0.03   0.03     0.03   0.05  -0.03
    23   1     0.01  -0.03  -0.07    -0.00   0.01   0.02    -0.00   0.01   0.01
    24   1     0.00  -0.01  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3085.5089              3089.3587              3091.0755
 Red. masses --      1.1011                 1.1019                 1.1068
 Frc consts  --      6.1765                 6.1965                 6.2310
 IR Inten    --     46.3497                21.5361                26.8831
 RamAct Fr= 1--    143.4975                67.5709                67.8592
  Dep-P Fr= 1--      0.7420                 0.7499                 0.6148
  Dep-U Fr= 1--      0.8519                 0.8571                 0.7614
 Alpha2 Fr= 1--      0.0196                 0.0001                 0.1684
 Beta2  Fr= 1--     20.3734                 9.6523                 8.6118
 AlphaG Fr= 1--      0.0896                 0.0049                -0.1797
 Gamma2 Fr= 1--    -12.0576                18.5917               -44.9445
 Delta2 Fr= 1--      5.6443                 5.7743               -23.4781
 Raman1 Fr= 1--     573.990                270.284                271.437
 ROA1   Fr= 1--    -976.916               1969.585              -5065.967
 CID1   Fr= 1--      -1.702                  7.287                -18.664
 Raman2 Fr= 1--     244.480                115.828                103.342
 ROA2   Fr= 1--    -334.538                400.007               -890.843
 CID2   Fr= 1--      -1.368                  3.453                 -8.620
 Raman3 Fr= 1--     488.961                231.655                206.684
 ROA3   Fr= 1--    -976.916               1969.585              -5065.967
 CID3   Fr= 1--      -1.998                  8.502                -24.511
 RC180  Fr= 1--       0.704                  0.714                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.01  -0.03     0.01  -0.01  -0.01     0.01  -0.02  -0.01
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.05  -0.01  -0.05     0.01   0.07  -0.04    -0.02  -0.03   0.00
     9   6     0.01   0.00  -0.01    -0.02   0.00   0.01    -0.07   0.00   0.04
    10   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.02  -0.01  -0.02
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.11  -0.02  -0.00     0.22   0.03   0.01     0.64   0.10   0.02
    13   1    -0.03   0.02   0.08     0.07  -0.04  -0.18     0.19  -0.10  -0.46
    14   1     0.00   0.01   0.04     0.00   0.02   0.05     0.00   0.01   0.04
    15   1     0.04  -0.05  -0.02     0.02  -0.02  -0.01    -0.15   0.22   0.07
    16   1     0.01   0.01  -0.02    -0.03  -0.01   0.03    -0.13  -0.05   0.17
    17   1     0.38  -0.17   0.26    -0.02   0.01  -0.02    -0.02   0.00  -0.02
    18   1     0.18   0.35   0.19     0.04   0.06   0.04     0.06   0.10   0.06
    19   1     0.07  -0.06  -0.09    -0.11   0.07   0.11    -0.13   0.08   0.12
    20   1     0.18   0.39   0.23    -0.15  -0.28  -0.19     0.10   0.20   0.12
    21   1     0.41  -0.17   0.28     0.25  -0.08   0.16     0.02  -0.02   0.02
    22   1    -0.04  -0.05   0.04    -0.26  -0.52   0.54     0.08   0.17  -0.19
    23   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    24   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    26   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.2829              3096.6647              3116.9024
 Red. masses --      1.0993                 1.1008                 1.1072
 Frc consts  --      6.2093                 6.2194                 6.3377
 IR Inten    --      9.7706                30.5653                38.1556
 RamAct Fr= 1--     33.3783                69.6793               106.6174
  Dep-P Fr= 1--      0.7482                 0.7499                 0.5977
  Dep-U Fr= 1--      0.8559                 0.8571                 0.7482
 Alpha2 Fr= 1--      0.0010                 0.0001                 0.3012
 Beta2  Fr= 1--      4.7617                 9.9534                13.2951
 AlphaG Fr= 1--     -0.0386                -0.0012                 0.2789
 Gamma2 Fr= 1--     -0.2147                17.1760                28.4793
 Delta2 Fr= 1--     -0.4191                -1.5310                19.3165
 Raman1 Fr= 1--     133.513                278.717                426.470
 ROA1   Fr= 1--     -34.021               1599.899               3352.145
 CID1   Fr= 1--      -0.255                  5.740                  7.860
 Raman2 Fr= 1--      57.140                119.440                159.541
 ROA2   Fr= 1--      -1.800                424.472                528.972
 CID2   Fr= 1--      -0.032                  3.554                  3.316
 Raman3 Fr= 1--     114.280                238.881                319.082
 ROA3   Fr= 1--     -34.021               1599.899               3352.145
 CID3   Fr= 1--      -0.298                  6.697                 10.506
 RC180  Fr= 1--       0.712                  0.714                  0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04   0.06   0.05     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.01  -0.00
     9   6     0.00   0.00  -0.00    -0.02   0.00   0.01     0.03  -0.00  -0.02
    10   6    -0.00   0.00   0.00     0.01  -0.00  -0.01     0.06  -0.02  -0.06
    11   6     0.02  -0.08   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.01  -0.00  -0.00     0.18   0.03   0.01    -0.24  -0.04  -0.01
    13   1    -0.00   0.00   0.01     0.07  -0.04  -0.16    -0.10   0.05   0.25
    14   1     0.00  -0.00  -0.00    -0.00   0.01   0.02     0.00   0.02   0.07
    15   1     0.00  -0.00  -0.00    -0.05   0.08   0.02    -0.31   0.45   0.14
    16   1     0.00   0.00  -0.01    -0.06  -0.02   0.07    -0.41  -0.18   0.56
    17   1    -0.01   0.00  -0.01     0.16  -0.06   0.13    -0.01   0.00  -0.00
    18   1     0.01   0.02   0.01    -0.19  -0.31  -0.17     0.01   0.01   0.01
    19   1    -0.03   0.02   0.03     0.55  -0.34  -0.52    -0.02   0.01   0.02
    20   1     0.00   0.00   0.00    -0.02  -0.03  -0.02    -0.01  -0.02  -0.02
    21   1    -0.00   0.00  -0.00     0.04  -0.01   0.02     0.01  -0.00   0.01
    22   1     0.00   0.01  -0.01    -0.03  -0.06   0.06    -0.03  -0.05   0.06
    23   1     0.00  -0.00  -0.01    -0.01   0.03   0.08     0.01  -0.04  -0.10
    24   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1     0.20   0.68   0.04     0.01   0.04   0.00    -0.00   0.00   0.00
    26   1    -0.39   0.34  -0.47    -0.02   0.02  -0.03    -0.00   0.00  -0.00
    27   1    -0.01  -0.02   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3139.4068              3146.1764              3158.7765
 Red. masses --      1.0888                 1.1008                 1.0883
 Frc consts  --      6.3226                 6.4201                 6.3980
 IR Inten    --     12.0967                10.3980                 9.9823
 RamAct Fr= 1--     61.7664                89.4253                51.4910
  Dep-P Fr= 1--      0.2007                 0.6093                 0.2306
  Dep-U Fr= 1--      0.3343                 0.7572                 0.3748
 Alpha2 Fr= 1--      0.8372                 0.2317                 0.6438
 Beta2  Fr= 1--      3.4415                11.2857                 3.2168
 AlphaG Fr= 1--     -0.3658                 0.0710                 0.4289
 Gamma2 Fr= 1--     -1.7519                 1.5771                 2.0953
 Delta2 Fr= 1--     -0.1583                 1.4317                 1.2107
 Raman1 Fr= 1--     247.066                357.701                205.964
 ROA1   Fr= 1--    -173.250                197.217                239.892
 CID1   Fr= 1--      -0.701                  0.551                  1.165
 Raman2 Fr= 1--      41.298                135.429                 38.602
 ROA2   Fr= 1--     -40.779                 26.396                 40.602
 CID2   Fr= 1--      -0.987                  0.195                  1.052
 Raman3 Fr= 1--      82.596                270.858                 77.204
 ROA3   Fr= 1--    -173.250                197.217                239.892
 CID3   Fr= 1--      -2.098                  0.728                  3.107
 RC180  Fr= 1--      -0.331                  0.514                 -0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.03  -0.07     0.00  -0.00  -0.01     0.01  -0.01  -0.01
     5   6     0.00   0.01   0.02     0.00   0.00   0.01     0.00  -0.03  -0.08
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.01   0.00  -0.00    -0.09  -0.02   0.00    -0.00  -0.00   0.00
    12   1    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   1    -0.02   0.01   0.04    -0.00   0.00   0.01    -0.00   0.00   0.01
    14   1     0.00   0.02   0.07    -0.00   0.00   0.01    -0.00   0.01   0.04
    15   1    -0.03   0.05   0.02    -0.00   0.01   0.00    -0.00   0.01   0.00
    16   1    -0.03  -0.01   0.04    -0.00  -0.00   0.01    -0.01  -0.00   0.01
    17   1    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.06   0.03   0.05    -0.01   0.01   0.01    -0.01   0.01   0.01
    20   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1    -0.09   0.36   0.87    -0.01   0.06   0.13    -0.02   0.08   0.19
    24   1     0.01  -0.08  -0.18     0.01  -0.03  -0.08    -0.06   0.38   0.89
    25   1    -0.00  -0.02  -0.00     0.06   0.26   0.01     0.00   0.01   0.00
    26   1    -0.01   0.01  -0.02     0.13  -0.14   0.18     0.01  -0.01   0.01
    27   1    -0.15  -0.01   0.04     0.88   0.08  -0.20     0.04   0.00  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   822.245333556.796303632.79357
           X            0.99977  -0.01240  -0.01744
           Y            0.01269   0.99978   0.01688
           Z            0.01723  -0.01710   0.99971
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10534     0.02435     0.02384
 Rotational constants (GHZ):           2.19489     0.50741     0.49679
 Zero-point vibrational energy     622135.1 (Joules/Mol)
                                  148.69385 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     55.50    88.44   106.17   179.38   218.24
          (Kelvin)            223.31   315.21   348.53   387.03   402.27
                              478.22   509.81   533.88   578.88   643.11
                              775.57   804.62   847.84   906.76  1050.43
                             1155.84  1213.15  1251.47  1285.04  1303.37
                             1362.04  1376.39  1404.07  1419.00  1460.47
                             1472.29  1491.79  1507.98  1512.27  1662.22
                             1719.52  1733.43  1766.32  1787.21  1801.16
                             1828.78  1842.99  1855.95  1876.00  1924.19
                             1982.32  1998.51  2022.45  2047.19  2117.27
                             2129.59  2133.94  2136.87  2147.31  2161.01
                             2165.93  2171.12  2439.22  2498.72  4347.20
                             4354.90  4374.57  4388.98  4405.23  4416.47
                             4431.61  4439.36  4444.90  4447.37  4454.86
                             4455.41  4484.53  4516.91  4526.65  4544.77
 
 Zero-point correction=                           0.236959 (Hartree/Particle)
 Thermal correction to Energy=                    0.249458
 Thermal correction to Enthalpy=                  0.250402
 Thermal correction to Gibbs Free Energy=         0.197971
 Sum of electronic and zero-point Energies=           -465.873446
 Sum of electronic and thermal Energies=              -465.860947
 Sum of electronic and thermal Enthalpies=            -465.860003
 Sum of electronic and thermal Free Energies=         -465.912433
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.537             46.448            110.350
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.742
 Vibrational            154.760             40.487             38.640
 Vibration     1          0.594              1.981              5.331
 Vibration     2          0.597              1.973              4.409
 Vibration     3          0.599              1.966              4.050
 Vibration     4          0.610              1.928              3.027
 Vibration     5          0.619              1.901              2.651
 Vibration     6          0.620              1.897              2.607
 Vibration     7          0.647              1.812              1.967
 Vibration     8          0.658              1.776              1.786
 Vibration     9          0.673              1.730              1.603
 Vibration    10          0.680              1.711              1.536
 Vibration    11          0.714              1.611              1.248
 Vibration    12          0.730              1.566              1.147
 Vibration    13          0.743              1.532              1.075
 Vibration    14          0.768              1.465              0.954
 Vibration    15          0.806              1.368              0.805
 Vibration    16          0.894              1.164              0.567
 Vibration    17          0.915              1.120              0.525
 Vibration    18          0.947              1.055              0.468
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.870030D-91        -91.060466       -209.674471
 Total V=0       0.856814D+18         17.932887         41.291998
 Vib (Bot)       0.101112-104       -104.995196       -241.760373
 Vib (Bot)    1  0.536439D+01          0.729521          1.679783
 Vib (Bot)    2  0.335883D+01          0.526188          1.211594
 Vib (Bot)    3  0.279335D+01          0.446126          1.027242
 Vib (Bot)    4  0.163727D+01          0.214121          0.493032
 Vib (Bot)    5  0.133610D+01          0.125838          0.289752
 Vib (Bot)    6  0.130444D+01          0.115425          0.265776
 Vib (Bot)    7  0.903208D+00         -0.044212         -0.101802
 Vib (Bot)    8  0.808607D+00         -0.092262         -0.212442
 Vib (Bot)    9  0.718810D+00         -0.143386         -0.330158
 Vib (Bot)   10  0.687807D+00         -0.162533         -0.374247
 Vib (Bot)   11  0.561322D+00         -0.250788         -0.577460
 Vib (Bot)   12  0.519222D+00         -0.284647         -0.655424
 Vib (Bot)   13  0.490277D+00         -0.309559         -0.712785
 Vib (Bot)   14  0.442236D+00         -0.354346         -0.815912
 Vib (Bot)   15  0.384589D+00         -0.415004         -0.955581
 Vib (Bot)   16  0.294181D+00         -0.531385         -1.223559
 Vib (Bot)   17  0.278123D+00         -0.555763         -1.279690
 Vib (Bot)   18  0.256186D+00         -0.591445         -1.361853
 Vib (V=0)       0.995765D+04          3.998157          9.206096
 Vib (V=0)    1  0.588764D+01          0.769942          1.772856
 Vib (V=0)    2  0.389584D+01          0.590602          1.359910
 Vib (V=0)    3  0.333775D+01          0.523454          1.205296
 Vib (V=0)    4  0.221192D+01          0.344769          0.793860
 Vib (V=0)    5  0.192659D+01          0.284789          0.655750
 Vib (V=0)    6  0.189699D+01          0.278064          0.640266
 Vib (V=0)    7  0.153237D+01          0.185363          0.426815
 Vib (V=0)    8  0.145071D+01          0.161580          0.372052
 Vib (V=0)    9  0.137561D+01          0.138495          0.318895
 Vib (V=0)   10  0.135034D+01          0.130443          0.300357
 Vib (V=0)   11  0.125172D+01          0.097507          0.224518
 Vib (V=0)   12  0.122083D+01          0.086654          0.199529
 Vib (V=0)   13  0.120027D+01          0.079277          0.182542
 Vib (V=0)   14  0.116751D+01          0.067261          0.154875
 Vib (V=0)   15  0.113080D+01          0.053386          0.122925
 Vib (V=0)   16  0.108012D+01          0.033473          0.077075
 Vib (V=0)   17  0.107215D+01          0.030254          0.069664
 Vib (V=0)   18  0.106181D+01          0.026047          0.059975
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.116680D+07          6.066996         13.969775
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000010965    0.000003526   -0.000010813
      2        6           0.000016793    0.000000254    0.000042509
      3        6          -0.000027443    0.000021782   -0.000034830
      4        6           0.000007155   -0.000024500    0.000006201
      5        6          -0.000004801    0.000003923   -0.000000200
      6        6          -0.000000189   -0.000008067   -0.000002143
      7        8           0.000002207    0.000001575   -0.000001639
      8        6          -0.000003080   -0.000005121   -0.000015391
      9        6          -0.000021396   -0.000008328   -0.000012893
     10        6           0.000016201    0.000007672    0.000018905
     11        6          -0.000003189    0.000000037    0.000011319
     12        1           0.000001910    0.000004236    0.000006469
     13        1           0.000002822    0.000002776    0.000009815
     14        1          -0.000001140    0.000003881    0.000001219
     15        1           0.000003819    0.000002861   -0.000007810
     16        1           0.000006388   -0.000011574   -0.000002855
     17        1           0.000000582   -0.000000013   -0.000001417
     18        1          -0.000002340   -0.000007148    0.000000758
     19        1           0.000001801   -0.000009880   -0.000001226
     20        1          -0.000001305   -0.000001896   -0.000004005
     21        1          -0.000000117    0.000001382    0.000002785
     22        1          -0.000003935    0.000008557    0.000000441
     23        1          -0.000002502    0.000009776    0.000000145
     24        1           0.000004269    0.000004902   -0.000005446
     25        1          -0.000001012    0.000001179   -0.000001464
     26        1          -0.000001853   -0.000000987   -0.000000963
     27        1          -0.000000612   -0.000000807    0.000002530
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000042509 RMS     0.000010125
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.171416D+03  0.710898D+01  0.559954D+01
      2   0.710898D+01  0.111810D+03  0.417271D+01
      3   0.559954D+01  0.417271D+01  0.114404D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.898238D+01  0.950787D+01 -0.340852D+01
      2   0.112343D+02 -0.112857D+02  0.184311D+02
      3   0.303834D+02 -0.456696D+02  0.190742D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.595904D+02 -0.456745D+02 -0.252964D+02
      2   0.541531D+02  0.405451D+02 -0.377956D+01
      3   0.543723D+01  0.512941D+01  0.290759D+02
      4  -0.431940D+02  0.102226D+03 -0.413644D+02
      5  -0.211200D+02 -0.464252D+02  0.283717D+02
      6  -0.244239D+02  0.136737D+02 -0.975741D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.232475D+01  0.166088D+01 -0.463237D+01  0.894775D+00  0.934647D+00
      2   0.166088D+01  0.832285D+00  0.395818D+01  0.934647D+00  0.318174D+01
      3  -0.463237D+01  0.395818D+01 -0.743113D+00  0.401054D+01  0.146812D+01
                 6             7             8             9            10 
      1   0.401054D+01 -0.480484D+01  0.400119D+01 -0.431169D+00  0.186389D+02
      2   0.146812D+01  0.400119D+01  0.206438D+01 -0.382037D+00 -0.246083D+01
      3  -0.109080D+01 -0.431169D+00 -0.382037D+00 -0.192435D+01  0.566429D+01
                11            12            13            14            15 
      1  -0.246083D+01  0.566429D+01 -0.585986D+01  0.119153D+01 -0.457645D+01
      2  -0.176159D-01 -0.373794D+01  0.119153D+01 -0.490726D+01 -0.245995D+01
      3  -0.373794D+01  0.312008D+00 -0.457645D+01 -0.245995D+01  0.119745D+00
                16            17            18            19            20 
      1   0.167056D+02 -0.449597D+01  0.199505D+01 -0.396736D+02 -0.192457D+01
      2  -0.449597D+01 -0.225752D+01  0.181565D+00 -0.192457D+01 -0.444004D+01
      3   0.199505D+01  0.181565D+00  0.106801D+01 -0.500461D+01  0.115100D+01
                21            22            23            24            25 
      1  -0.500461D+01  0.369007D+01 -0.844136D+01  0.283882D+01 -0.758748D+01
      2   0.115100D+01 -0.844136D+01 -0.198109D+01 -0.668832D+00  0.247046D+01
      3  -0.776577D+00  0.283882D+01 -0.668832D+00  0.310370D+01 -0.102762D+01
                26            27            28            29            30 
      1   0.247046D+01 -0.102762D+01  0.589001D+02  0.619841D+01  0.585202D+01
      2  -0.975843D+00  0.293097D+01  0.619841D+01  0.388788D+01 -0.249587D+00
      3   0.293097D+01  0.379467D+01  0.585202D+01 -0.249587D+00  0.214357D+01
                31            32            33            34            35 
      1   0.124740D+02  0.709280D+01 -0.486407D+00  0.997083D+01 -0.537460D-01
      2   0.709280D+01  0.395889D+01 -0.162768D+00 -0.537460D-01  0.914263D+00
      3  -0.486407D+00 -0.162768D+00 -0.168875D+01  0.390293D+01 -0.192421D+01
                36            37            38            39            40 
      1   0.390293D+01 -0.579044D+02 -0.813785D+01 -0.693246D+01 -0.126771D+02
      2  -0.192421D+01 -0.813785D+01 -0.310916D+01  0.160480D+00 -0.555135D+01
      3  -0.228595D+01 -0.693246D+01  0.160480D+00 -0.763548D+00 -0.616191D-01
                41            42            43            44            45 
      1  -0.555135D+01 -0.616191D-01 -0.844389D+01  0.175721D+00 -0.327379D+01
      2  -0.300422D+01 -0.239874D+00  0.175721D+00 -0.109916D+01  0.264853D+01
      3  -0.239874D+00  0.282190D+01 -0.327379D+01  0.264853D+01  0.258023D+01
                46            47            48            49            50 
      1   0.404684D+02  0.804752D+01  0.674319D+01  0.879752D+01  0.217946D+01
      2   0.804752D+01  0.608419D+00  0.149780D+01  0.217946D+01  0.757700D+00
      3   0.674319D+01  0.149780D+01  0.162226D+00  0.248156D+01  0.131810D+00
                51            52            53            54            55 
      1   0.248156D+01  0.333558D+01  0.189101D+01  0.256517D+01 -0.332074D+02
      2   0.131810D+00  0.189101D+01  0.294763D+00 -0.106316D+01 -0.617958D+01
      3  -0.144460D+01  0.256517D+01 -0.106316D+01 -0.264761D+01 -0.615658D+01
                56            57            58            59            60 
      1  -0.617958D+01 -0.615658D+01 -0.125530D+02 -0.642631D+01 -0.173659D+01
      2  -0.199766D+01 -0.117326D+01 -0.642631D+01 -0.388091D+01 -0.216919D+01
      3  -0.117326D+01 -0.219909D+01 -0.173659D+01 -0.216919D+01 -0.552728D+00
                61            62            63            64            65 
      1  -0.179716D+02 -0.320311D+01 -0.621393D+01 -0.659692D+01  0.153681D+01
      2  -0.320311D+01 -0.130069D+01 -0.155397D+01  0.153681D+01  0.700373D+00
      3  -0.621393D+01 -0.155397D+01 -0.414782D+01 -0.345060D+01  0.413556D+01
                66            67            68            69            70 
      1  -0.345060D+01  0.132322D+01 -0.466638D+00  0.414546D+01 -0.735963D+01
      2   0.413556D+01 -0.466638D+00  0.281830D+01  0.340081D+01  0.414050D+01
      3   0.607983D-01  0.414546D+01  0.340081D+01 -0.123552D+01 -0.142026D+01
                71            72            73            74            75 
      1   0.414050D+01 -0.142026D+01 -0.676778D+01 -0.198701D+01 -0.161899D+01
      2   0.309590D+01 -0.442169D+00 -0.198701D+01  0.177805D+01 -0.367334D+00
      3  -0.442169D+00  0.157926D+01 -0.161899D+01 -0.367334D+00  0.298249D+01
                76            77            78            79            80 
      1  -0.189324D+01  0.245141D+01 -0.785261D+00  0.245533D+00 -0.241848D+00
      2   0.245141D+01  0.601644D+01  0.252329D+01 -0.241848D+00  0.218247D+01
      3  -0.785261D+00  0.252329D+01 -0.188331D+01  0.275360D+01 -0.251723D+01
                81            82            83            84            85 
      1   0.275360D+01  0.580982D+01  0.221188D+01  0.107754D+01  0.555572D+01
      2  -0.251723D+01  0.221188D+01  0.486466D+01  0.275586D+01  0.664067D+01
      3  -0.291022D+01  0.107754D+01  0.275586D+01 -0.344340D+01  0.190271D+01
                86            87            88            89            90 
      1   0.664067D+01  0.190271D+01  0.687960D+01  0.488013D+01 -0.367844D+01
      2  -0.153173D+01  0.387447D+00  0.488013D+01  0.370894D+00 -0.137229D+00
      3   0.387447D+00  0.131673D+00 -0.367844D+01 -0.137229D+00  0.462273D+00
                91            92            93            94            95 
      1   0.896016D+01  0.100697D+01 -0.303322D+01  0.234282D+01 -0.152148D+01
      2   0.100697D+01 -0.232893D+01  0.259174D-01 -0.152148D+01 -0.409868D+01
      3  -0.303322D+01  0.259174D-01 -0.258077D+01 -0.580796D+00 -0.128146D+01
                96            97            98            99           100 
      1  -0.580796D+00 -0.484938D+00 -0.339232D+00 -0.332627D+01  0.116082D+02
      2  -0.128146D+01 -0.339232D+00 -0.675745D+00  0.228950D+01  0.271317D+01
      3   0.257017D+01 -0.332627D+01  0.228950D+01  0.107274D+01  0.241353D+01
               101           102           103           104           105 
      1   0.271317D+01  0.241353D+01  0.124843D+01  0.157098D+01  0.294436D+00
      2   0.202681D+01  0.619736D+00  0.157098D+01  0.708770D+00  0.265332D+00
      3   0.619736D+00  0.139132D+01  0.294436D+00  0.265332D+00  0.388713D+00
               106           107           108           109           110 
      1   0.638998D+00  0.234910D+00  0.120327D+01 -0.373317D+00  0.557461D+00
      2   0.234910D+00 -0.112704D+00  0.686575D+00  0.557461D+00 -0.971033D+00
      3   0.120327D+01  0.686575D+00  0.108018D+01  0.110505D+01 -0.416835D+00
               111           112           113           114           115 
      1   0.110505D+01  0.221360D+00 -0.191299D+00  0.178290D-01  0.949063D+00
      2  -0.416835D+00 -0.191299D+00  0.760229D+00  0.110428D+01 -0.115909D-03
      3  -0.210715D+01  0.178290D-01  0.110428D+01  0.156270D+01 -0.275056D+00
               116           117           118           119           120 
      1  -0.115909D-03 -0.275056D+00 -0.426778D+00 -0.513663D+00 -0.796368D+00
      2   0.190772D+01  0.222048D+01 -0.513663D+00  0.326151D+00 -0.121742D+00
      3   0.222048D+01  0.776420D+01 -0.796368D+00 -0.121742D+00 -0.995212D-01
               121           122           123           124           125 
      1  -0.187207D+01  0.392773D+00 -0.484808D-01 -0.990119D+00  0.683251D-01
      2   0.392773D+00 -0.813942D+00 -0.125352D+01  0.683251D-01 -0.125529D+01
      3  -0.484808D-01 -0.125352D+01 -0.175104D+01  0.410056D+00 -0.118793D+01
               126           127           128           129           130 
      1   0.410056D+00 -0.206276D+01  0.188577D+01 -0.964717D-01  0.468701D+00
      2  -0.118793D+01  0.188577D+01 -0.425555D+01 -0.292331D+00 -0.208646D+01
      3  -0.710078D+01 -0.964717D-01 -0.292331D+00 -0.270231D+00 -0.290208D+00
               131           132           133           134           135 
      1  -0.208646D+01 -0.290208D+00  0.216320D+00 -0.640766D+00  0.185813D+00
      2   0.844352D+01  0.122530D+00 -0.640766D+00  0.155186D+01  0.121190D+01
      3   0.122530D+00  0.868276D+00  0.185813D+00  0.121190D+01  0.282003D+00
               136           137           138           139           140 
      1   0.320901D+01  0.166906D+01 -0.211070D+01 -0.147062D+00  0.884190D+00
      2   0.166906D+01  0.151567D+01 -0.148017D+01  0.884190D+00  0.234360D+01
      3  -0.211070D+01 -0.148017D+01  0.258684D+01 -0.109682D+01 -0.159522D+01
               141           142           143           144           145 
      1  -0.109682D+01 -0.428878D+01 -0.242363D+01  0.297139D+01  0.551263D+01
      2  -0.159522D+01 -0.242363D+01 -0.280825D+01  0.251516D+01 -0.248898D+01
      3   0.130450D+01  0.297139D+01  0.251516D+01 -0.474235D+01  0.338604D+01
               146           147           148           149           150 
      1  -0.248898D+01  0.338604D+01 -0.140907D+01  0.162777D+01 -0.137522D+01
      2   0.245437D+01 -0.220895D+01  0.162777D+01 -0.247422D+01  0.149561D+01
      3  -0.220895D+01  0.328477D+01 -0.137522D+01  0.149561D+01 -0.125829D+01
               151           152           153           154           155 
      1   0.239977D+01 -0.169792D+01  0.250472D+01 -0.139378D+01 -0.156589D+01
      2  -0.169792D+01  0.141014D+01 -0.195496D+01 -0.156589D+01 -0.241776D+01
      3   0.250472D+01 -0.195496D+01  0.395708D+01  0.134475D+00 -0.421128D+00
               156           157           158           159           160 
      1   0.134475D+00 -0.125667D+01 -0.150156D+01 -0.431145D+00 -0.451970D+00
      2  -0.421128D+00 -0.150156D+01 -0.682511D+01 -0.495562D+00 -0.731118D+00
      3  -0.557125D+00 -0.431145D+00 -0.495562D+00 -0.115171D+01 -0.372555D+00
               161           162           163           164           165 
      1  -0.731118D+00 -0.372555D+00 -0.365187D+01  0.697071D+00  0.218243D+01
      2  -0.253944D+01 -0.868549D+00  0.697071D+00 -0.109752D+01 -0.372749D+00
      3  -0.868549D+00 -0.851723D+00  0.218243D+01 -0.372749D+00 -0.233339D+01
               166           167           168           169           170 
      1   0.164229D+01 -0.103731D+01 -0.795309D+00  0.194975D+01 -0.665992D+00
      2  -0.103731D+01  0.724553D+00  0.385248D+00 -0.665992D+00  0.673500D+00
      3  -0.795309D+00  0.385248D+00  0.149234D+01 -0.205566D+01  0.328395D+00
               171           172           173           174           175 
      1  -0.205566D+01 -0.363735D+00 -0.784707D+00 -0.105153D+00 -0.138155D+01
      2   0.328395D+00 -0.784707D+00 -0.195386D+01 -0.123894D+01  0.349413D+00
      3   0.419884D+01 -0.105153D+00 -0.123894D+01 -0.106619D+01 -0.121193D+00
               176           177           178           179           180 
      1   0.349413D+00 -0.121193D+00 -0.172791D+00 -0.227008D+00  0.298788D+00
      2  -0.619460D+01 -0.294153D+01 -0.227008D+00 -0.280856D+01 -0.215584D+01
      3  -0.294153D+01 -0.214333D+01  0.298788D+00 -0.215584D+01 -0.268312D+01
               181           182           183           184           185 
      1   0.879250D+01 -0.303356D+01  0.174268D+01 -0.235087D+01  0.221057D+01
      2  -0.303356D+01  0.176775D+01 -0.865763D+00  0.221057D+01 -0.197979D+01
      3   0.174268D+01 -0.865763D+00  0.142976D+01 -0.801509D+00  0.231263D+00
               186           187           188           189           190 
      1  -0.801509D+00  0.527472D+01 -0.188038D+01  0.189368D+01  0.283382D+01
      2   0.231263D+00 -0.188038D+01  0.110725D+01 -0.699811D+00  0.755068D+00
      3  -0.416165D+00  0.189368D+01 -0.699811D+00  0.156697D+01 -0.134493D+01
               191           192           193           194           195 
      1   0.755068D+00 -0.134493D+01  0.205050D+01  0.838242D+00 -0.178127D+01
      2   0.622729D+00 -0.981607D+00  0.838242D+00  0.209728D+01 -0.176628D+01
      3  -0.981607D+00  0.154934D+01 -0.178127D+01 -0.176628D+01  0.243695D+01
               196           197           198           199           200 
      1  -0.177610D+01 -0.103887D+01  0.248311D+01  0.142312D+01  0.768736D+00
      2  -0.103887D+01 -0.182622D+01  0.144499D+01  0.768736D+00  0.672532D-01
      3   0.248311D+01  0.144499D+01 -0.451632D+01  0.121001D+01 -0.118714D+00
               201           202           203           204           205 
      1   0.121001D+01  0.141463D+01 -0.917765D+00  0.183008D+00  0.157832D+01
      2  -0.118714D+00 -0.917765D+00  0.717394D+00  0.109096D+01  0.339567D+00
      3  -0.422564D+00  0.183008D+00  0.109096D+01  0.158781D+01 -0.367462D+00
               206           207           208           209           210 
      1   0.339567D+00 -0.367462D+00 -0.894004D+00 -0.544583D+00 -0.962340D+00
      2   0.137417D+01  0.155242D+01 -0.544583D+00 -0.578923D-01 -0.157726D-01
      3   0.155242D+01  0.442919D+01 -0.962340D+00 -0.157726D-01  0.918658D-01
               211           212           213           214           215 
      1  -0.875646D+00  0.177903D+00 -0.383240D+00 -0.151115D+01 -0.281522D+00
      2   0.177903D+00 -0.119858D+01 -0.141942D+01 -0.281522D+00 -0.163185D+01
      3  -0.383240D+00 -0.141942D+01 -0.242152D+01 -0.209216D+00 -0.211236D+01
               216           217           218           219           220 
      1  -0.209216D+00 -0.914049D+00  0.720344D+00  0.291674D+00  0.201855D+01
      2  -0.211236D+01  0.720344D+00  0.112087D+01  0.262877D+00 -0.799265D-01
      3  -0.690459D+01  0.291674D+00  0.262877D+00  0.953032D+00 -0.650171D+00
               221           222           223           224           225 
      1  -0.799265D-01 -0.650171D+00  0.963796D+00  0.110750D+00  0.203999D+00
      2   0.729089D+01  0.164804D+01  0.110750D+00  0.561150D+00  0.773803D+00
      3   0.164804D+01  0.175004D+01  0.203999D+00  0.773803D+00  0.705798D+00
               226           227           228           229           230 
      1   0.556456D+00 -0.994933D+00  0.112426D+01 -0.127786D+01  0.692368D+00
      2  -0.994933D+00  0.115251D+01 -0.422644D+00  0.692368D+00 -0.118081D+01
      3   0.112426D+01 -0.422644D+00  0.253619D+01 -0.143083D+00  0.164770D+01
               231           232           233           234           235 
      1  -0.143083D+00  0.259857D+01 -0.431127D+00  0.773592D+00 -0.101580D+02
      2   0.164770D+01 -0.431127D+00  0.149367D+01 -0.150319D+01  0.187013D+00
      3  -0.255002D+01  0.773592D+00 -0.150319D+01  0.502030D+01  0.331761D+01
               236           237           238           239           240 
      1   0.187013D+00  0.331761D+01 -0.588491D+00 -0.101325D+01  0.270412D+00
      2  -0.107875D+01 -0.819561D-01 -0.101325D+01  0.251630D+00  0.551162D+00
      3  -0.819561D-01 -0.212153D+01  0.270412D+00  0.551162D+00 -0.550744D+00
               241           242           243 
      1   0.213682D+01  0.397817D-01 -0.149374D+01
      2   0.397817D-01  0.289123D+00 -0.281665D+00
      3  -0.149374D+01 -0.281665D+00  0.115307D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.644418D+01  0.985744D+01  0.581200D+01  0.932784D+01  0.983350D+01
      2  -0.845014D+01  0.213349D+01  0.825360D+01  0.636004D+01  0.370652D+00
      3  -0.293603D+01 -0.819349D+01  0.245241D+01 -0.628218D+00 -0.697651D+01
                 6             7             8             9            10 
      1  -0.218642D+01  0.590094D+01  0.507933D+01 -0.566820D+01  0.476383D+01
      2  -0.784246D+01  0.360908D+01 -0.771145D+01 -0.267055D+01  0.186197D+02
      3  -0.987553D+01  0.121363D+01 -0.116137D+02  0.973814D+00  0.893788D+01
                11            12            13            14            15 
      1  -0.556273D+01 -0.416645D-01 -0.677557D+01 -0.650962D+01 -0.568989D+01
      2  -0.873206D+01  0.493280D+01 -0.114756D+02 -0.394959D+01  0.574805D+00
      3  -0.187561D+01  0.791741D+01  0.810399D+01  0.132852D+02  0.104459D+02
                16            17            18            19            20 
      1   0.126938D+01  0.398785D+01 -0.331981D+00  0.228485D+01  0.330356D+01
      2   0.355516D+01  0.180140D+01  0.304074D+01 -0.268393D+02 -0.153351D+01
      3   0.960904D+01  0.109125D+02 -0.102714D+01 -0.154493D+02 -0.415056D+01
                21            22            23            24            25 
      1  -0.141944D+01  0.581359D+01  0.359319D+01 -0.274588D+01 -0.324109D+01
      2  -0.368137D+00 -0.108136D+00 -0.680571D+01  0.478957D+01 -0.158815D+02
      3  -0.340751D+01  0.623298D+01 -0.630375D+01  0.262279D+01 -0.286948D+01
                26            27            28            29            30 
      1   0.436843D+01 -0.424133D+01 -0.840615D+01  0.424165D+00 -0.376709D+00
      2   0.259406D+01  0.261507D+00  0.296076D+02  0.571509D+01 -0.810877D+00
      3   0.158412D+00 -0.196188D+01  0.165673D+02  0.852065D+01 -0.153214D+00
                31            32            33            34            35 
      1   0.648084D+01 -0.923959D+00 -0.300159D+01 -0.288181D+01  0.185245D+01
      2   0.127515D+02  0.344527D+01  0.666976D-01 -0.199279D+02 -0.166168D+01
      3   0.349608D+02  0.926210D+01  0.257135D+01 -0.650651D+00 -0.346767D+00
                36            37            38            39            40 
      1   0.356700D+01  0.842259D+01 -0.166243D+01  0.987219D+00 -0.801933D+01
      2   0.228085D+00 -0.206068D+02 -0.546802D+01  0.310877D+01 -0.123154D+02
      3   0.313482D+00 -0.229427D+02 -0.119509D+02 -0.693088D+00 -0.413851D+01
                41            42            43            44            45 
      1   0.156942D+00 -0.432519D+00  0.812655D+01  0.242666D+01 -0.853548D+00
      2  -0.370493D+01 -0.497758D+01 -0.133748D+02 -0.622994D+01 -0.117658D+02
      3  -0.368721D+01  0.206511D+01  0.156304D+01  0.290689D+01  0.347448D+01
                46            47            48            49            50 
      1  -0.700367D+01  0.998455D+01 -0.744035D+00  0.584443D+01 -0.685380D+01
      2   0.379913D+01  0.621845D+01 -0.453760D+01  0.286658D+01 -0.220569D-01
      3   0.146852D+02  0.154834D+02  0.348476D+00  0.239584D+02  0.500807D+01
                51            52            53            54            55 
      1  -0.151523D+02 -0.356489D+00 -0.315490D+01  0.994905D+01  0.390522D+01
      2  -0.142271D+01 -0.193004D+02  0.446639D+00  0.890354D+01 -0.336262D+01
      3  -0.377248D+01 -0.122298D+00  0.446731D+00 -0.725290D+00 -0.117763D+02
                56            57            58            59            60 
      1  -0.278027D+01 -0.703582D+00  0.194539D+01  0.296419D+01  0.113104D+01
      2  -0.156703D+01  0.148220D+02 -0.349790D+01  0.254774D+01  0.612220D+01
      3  -0.179240D+02 -0.214548D+01 -0.137306D+02 -0.133725D+02 -0.393896D+01
                61            62            63            64            65 
      1   0.123514D+01  0.372777D+01 -0.323906D+01 -0.462820D+01  0.521201D+01
      2   0.407508D+01  0.241625D+01  0.125219D+02 -0.161263D+02  0.155926D+02
      3  -0.560621D+01 -0.905035D+01 -0.416292D+01  0.863894D+00 -0.632620D+01
                66            67            68            69            70 
      1  -0.523758D+01  0.746356D+01  0.215264D+01 -0.750526D+01 -0.759518D+01
      2  -0.126876D+01  0.147163D+02  0.121371D+02  0.270951D+00 -0.134926D+02
      3  -0.107606D+02  0.449409D+01 -0.105813D+02 -0.180651D+02 -0.115108D+02
                71            72            73            74            75 
      1  -0.116431D+01  0.401097D+01 -0.143101D+01  0.503030D+01 -0.594073D+01
      2   0.340573D+01  0.611352D+01  0.656210D+01  0.249061D+01  0.138769D+02
      3  -0.165855D+02  0.328233D+01 -0.248304D+01 -0.127456D+02  0.785735D-01
                76            77            78            79            80 
      1   0.211229D+01  0.294155D+01  0.504672D+01 -0.459899D+01  0.972316D+01
      2   0.372612D+00  0.389373D+01 -0.584556D+01  0.563214D+01 -0.815873D+01
      3  -0.607515D+01 -0.142748D+02 -0.970085D+01  0.190182D+01 -0.863694D+01
                81            82            83            84            85 
      1   0.406984D+00 -0.348670D+01 -0.125638D+02  0.864166D+01 -0.133159D+02
      2  -0.122372D+02  0.597749D+01  0.528368D+01 -0.337749D+01  0.783887D+01
      3   0.128353D+02  0.599066D+00 -0.985244D+01 -0.411604D+01  0.325395D+01
                86            87            88            89            90 
      1   0.103794D+01 -0.402730D+01  0.874276D+01  0.273523D+01 -0.115975D-01
      2   0.627454D+01  0.203558D+01 -0.447554D+01  0.335109D+01 -0.261689D+01
      3   0.163484D+02  0.547645D+01 -0.131824D+01  0.107845D+02 -0.104481D+02
                91            92            93            94            95 
      1   0.261113D+01 -0.661990D+01  0.336797D+01  0.139440D+01 -0.709889D+01
      2   0.260951D+01 -0.163891D+01  0.182204D+02  0.113712D+00  0.914965D+01
      3   0.681117D+01 -0.108606D+02 -0.157742D+01 -0.129320D+01 -0.157785D+02
                96            97            98            99           100 
      1  -0.942006D+01 -0.367029D+00  0.297298D+01  0.385516D+01 -0.878093D+00
      2  -0.109010D+02  0.106567D+02 -0.825795D+01  0.126795D+00 -0.457676D+01
      3  -0.495787D+01 -0.147534D+01 -0.395099D+00  0.622586D+01  0.751429D+01
               101           102           103           104           105 
      1   0.192327D+01 -0.193288D+01  0.512018D+00  0.438883D-01 -0.154127D+01
      2  -0.497509D+00  0.498075D+01 -0.617119D+00 -0.538008D+00  0.123453D+01
      3  -0.617106D+01  0.118543D+01 -0.561691D+00 -0.179202D+00  0.368001D+00
               106           107           108           109           110 
      1  -0.111996D+01 -0.517355D-01 -0.749974D+00 -0.952498D+00 -0.165735D+01
      2   0.130590D+01  0.152416D+01  0.240430D+01  0.506697D+01 -0.165519D+01
      3   0.328681D+00  0.352206D+00 -0.498967D+00 -0.265040D+01  0.239570D+01
               111           112           113           114           115 
      1   0.270260D+01 -0.692253D+00 -0.815357D+00 -0.219112D+01  0.689782D+00
      2  -0.656572D+01 -0.763295D+00  0.365507D+01  0.421681D+01 -0.581491D+01
      3   0.256719D+01  0.257420D+01 -0.176917D+01 -0.276645D+01  0.218890D+01
               116           117           118           119           120 
      1   0.186734D+01 -0.803193D+01  0.903949D+00  0.394142D+00  0.577612D-01
      2   0.584405D+01  0.217989D+02 -0.226011D+01 -0.730351D+00  0.247247D+00
      3  -0.437265D+01 -0.651604D+01  0.462264D+00 -0.124174D+01 -0.281325D+00
               121           122           123           124           125 
      1   0.101132D+01  0.223979D+01  0.791022D+00 -0.249831D+00  0.476015D+01
      2  -0.196320D+01 -0.677054D+00 -0.193280D+01 -0.416508D+01 -0.100784D+01
      3   0.188923D+01  0.503628D+00  0.902366D+00 -0.122178D+00  0.505129D+00
               126           127           128           129           130 
      1   0.329472D+01 -0.645502D+00  0.355795D+01  0.211736D+01  0.198969D+01
      2  -0.634269D+01 -0.138368D+01  0.430465D+00  0.477325D+00 -0.341894D+00
      3   0.145460D+01 -0.975373D+01  0.101183D+02  0.446855D+00  0.981643D+01
               131           132           133           134           135 
      1  -0.540025D+01 -0.492477D+01  0.961424D-02 -0.243196D+01 -0.170178D+01
      2  -0.131474D+01  0.227268D+00 -0.775044D+00  0.149362D+01  0.583847D+00
      3  -0.187870D+02 -0.605920D+00  0.216681D+01 -0.430392D+01 -0.173756D+01
               136           137           138           139           140 
      1   0.344192D+01  0.168803D+01 -0.590518D+01  0.174171D+01  0.161707D+01
      2  -0.422406D+00 -0.145741D+01  0.466361D+01 -0.168898D+01 -0.224230D+01
      3   0.424340D+01 -0.156246D+01 -0.157318D+01  0.479100D+00 -0.334744D+01
               141           142           143           144           145 
      1  -0.276220D+01 -0.571708D+01 -0.105247D+01  0.985648D+01  0.188821D+01
      2   0.215578D+01  0.150244D-01  0.280047D+01 -0.644093D+01 -0.313337D+01
      3   0.478102D+00 -0.400695D+01  0.133857D+01  0.147987D+01 -0.449252D+01
               146           147           148           149           150 
      1   0.688706D+00  0.302636D+01 -0.766324D-01 -0.142677D+01 -0.153715D+01
      2  -0.700312D+00  0.298864D+01  0.169457D+01  0.409746D+00 -0.153286D+00
      3  -0.246133D+01 -0.920412D+00  0.175353D+01  0.249535D+01  0.964114D-01
               151           152           153           154           155 
      1   0.152758D+01  0.511776D+00  0.445582D+01 -0.228366D+01 -0.475258D+01
      2  -0.233464D+01 -0.501585D+00  0.382311D+01  0.260178D+01  0.193208D+01
      3  -0.289138D+01 -0.191730D+00 -0.694769D+00  0.747928D+01  0.586963D+01
               156           157           158           159           160 
      1  -0.303825D+01 -0.340317D+01 -0.108527D+02 -0.541830D+01 -0.217752D+01
      2   0.775484D-01  0.144198D+01  0.280645D+01  0.641823D-01 -0.109318D+01
      3   0.733550D+00  0.753401D+01  0.138553D+02  0.153595D+01  0.321849D+01
               161           162           163           164           165 
      1  -0.363824D+01 -0.394076D+01  0.665163D+01 -0.470573D+01 -0.458613D+01
      2   0.316327D+00 -0.167183D+00  0.129365D+02 -0.246601D+01 -0.573933D+01
      3   0.572308D+01  0.235141D+01  0.617126D+01 -0.106428D+01 -0.349034D+01
               166           167           168           169           170 
      1  -0.458470D+01  0.332676D+01  0.172920D+01 -0.507362D+01  0.377024D+01
      2  -0.559579D+01  0.260644D+01  0.328498D+01 -0.900038D+01  0.197635D+01
      3   0.393750D+00  0.822832D+00  0.113254D+01 -0.333013D+01  0.179743D+01
               171           172           173           174           175 
      1   0.729881D+01  0.537116D+00  0.447403D+00 -0.923498D+00 -0.313442D-01
      2   0.882200D+01 -0.200509D+01 -0.487523D+01 -0.268977D+01 -0.289817D+01
      3   0.347196D+01  0.472491D+01  0.643425D+01  0.419313D+01  0.332523D+01
               176           177           178           179           180 
      1   0.236419D+01 -0.266126D+01  0.675027D+00  0.138276D+01 -0.271184D+01
      2  -0.103652D+02 -0.748033D+01 -0.105318D+01 -0.761227D+01 -0.845540D+01
      3   0.203237D+02  0.102592D+02  0.230001D+01  0.102255D+02  0.718930D+01
               181           182           183           184           185 
      1   0.483995D+01 -0.215882D+01  0.358381D+01 -0.274047D+01  0.147307D+01
      2   0.121026D+02 -0.542875D+01  0.937425D+01 -0.468203D+01  0.220317D+01
      3  -0.748203D+00 -0.535463D+01  0.952104D+00 -0.265629D+01  0.497618D+01
               186           187           188           189           190 
      1  -0.181320D+01  0.311691D+01 -0.291290D+00  0.291006D+01 -0.248230D+01
      2  -0.311262D+01  0.791940D+01 -0.330616D+01  0.782973D+01 -0.174647D+01
      3   0.322074D+00  0.150873D+01 -0.267801D+01  0.233751D+00 -0.437663D+01
               191           192           193           194           195 
      1  -0.244717D+01  0.268242D+01 -0.246780D+01 -0.627402D+01  0.377391D+01
      2  -0.253284D+01  0.514644D+01 -0.289938D+01 -0.553041D+01  0.730202D+01
      3  -0.403276D+01  0.477605D+01 -0.313467D+01 -0.933876D+01  0.759053D+01
               196           197           198           199           200 
      1   0.377810D+01  0.623251D+01 -0.628939D+01 -0.231059D-01 -0.405746D+00
      2   0.426454D+01  0.414750D+01 -0.132290D+02 -0.101809D+00  0.238119D+00
      3   0.484542D+01  0.830962D+01 -0.715397D+01  0.802645D+00  0.586094D+00
               201           202           203           204           205 
      1   0.368752D+00 -0.410837D+01 -0.490397D+00 -0.223856D+01  0.154520D+01
      2  -0.172158D+00 -0.131674D+01 -0.142804D+01 -0.771156D+00 -0.332590D+01
      3   0.732999D+00  0.298933D+01  0.616020D-01  0.147834D+00  0.172888D+01
               206           207           208           209           210 
      1   0.191595D+01 -0.355614D+01  0.751290D+00 -0.356095D+00 -0.776265D-01
      2  -0.513494D-01 -0.272962D+01  0.106439D+01 -0.201321D+00  0.215118D+00
      3   0.739987D+00 -0.186760D-02 -0.165214D+01 -0.592355D+00 -0.318656D+00
               211           212           213           214           215 
      1  -0.149598D+01  0.151966D+01 -0.521040D-01  0.426139D+00  0.403841D+01
      2   0.489250D-03  0.292866D+01  0.443671D+01 -0.384852D+01  0.376527D+01
      3   0.386963D+01 -0.180840D+01 -0.267885D+01 -0.582561D+00 -0.327027D+01
               216           217           218           219           220 
      1  -0.185409D+00  0.221724D+00  0.255094D+01  0.462482D+00 -0.142324D+00
      2   0.121262D+02 -0.161387D+01 -0.249621D+01 -0.293262D+01 -0.798136D+00
      3  -0.441982D+01  0.273838D+01  0.434403D+01  0.129556D+01  0.257424D+01
               221           222           223           224           225 
      1   0.125034D+02  0.127753D+01  0.156551D+01  0.731495D+00  0.500167D+00
      2  -0.692831D+01 -0.450663D+01 -0.130002D+01 -0.254622D+01 -0.314126D+01
      3   0.257572D+02  0.565923D+01  0.159552D+01  0.154355D+01  0.268300D+01
               226           227           228           229           230 
      1  -0.120768D+01  0.256278D+01 -0.364088D+01  0.299447D+00 -0.330999D+01
      2  -0.760707D+01  0.369566D+01 -0.114369D+02  0.306045D+01 -0.789572D+01
      3  -0.283184D+01  0.264262D+01 -0.147898D+01  0.223357D+01 -0.339393D+01
               231           232           233           234           235 
      1   0.441090D+01 -0.231107D+01  0.420325D+01 -0.567798D+01 -0.135068D+01
      2   0.102149D+02 -0.784455D+01  0.639856D+01 -0.195399D+02  0.209042D+01
      3   0.596276D+01 -0.112642D+01  0.421694D+01 -0.492325D+01 -0.406795D+01
               236           237           238           239           240 
      1  -0.195261D+01  0.757798D+00 -0.885155D+00  0.100221D+00 -0.565706D-01
      2   0.338187D+00  0.571147D+01 -0.255366D+00 -0.102619D+01  0.194912D+01
      3  -0.594050D+01  0.114603D+01 -0.249860D+01  0.449366D+00  0.152587D+01
               241           242           243 
      1   0.640884D+00  0.140304D+01 -0.823788D+00
      2   0.255601D+00  0.121324D+01 -0.204809D+01
      3   0.144364D+01  0.148397D+01 -0.169763D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.854890D+01  0.516317D+01 -0.657858D+01  0.125466D+01  0.658712D+01
      2   0.299712D+01 -0.198840D+02 -0.549494D+01 -0.144163D+02 -0.177878D+02
      3  -0.115460D+02  0.147209D+02  0.120735D+02  0.131617D+02  0.112007D+02
      4   0.119605D+02 -0.556333D+01  0.234563D+02 -0.278419D+01  0.570590D+01
      5  -0.191166D+02  0.188489D+02 -0.151800D+02  0.182716D+02  0.444428D+01
      6   0.141350D+02 -0.128764D+02  0.126711D+02 -0.889307D+01 -0.417520D+01
                 6             7             8             9            10 
      1   0.207372D+02 -0.599480D+01  0.210697D+02 -0.188949D+01 -0.180631D+00
      2  -0.138857D+02 -0.777548D+01 -0.168869D+02  0.796559D+01  0.591142D+01
      3  -0.685147D+01  0.137703D+02 -0.418277D+01 -0.607610D+01 -0.573079D+01
      4  -0.630479D+01  0.240402D+02 -0.826813D+01  0.438296D+01 -0.143937D+02
      5   0.677416D+01 -0.142762D+02  0.960831D+01 -0.830691D+01  0.135454D+02
      6   0.453438D+01  0.111142D+02  0.345731D+01  0.139668D+01 -0.123753D+02
                11            12            13            14            15 
      1  -0.276077D+01  0.895448D+01 -0.598012D+01 -0.102978D+02 -0.217002D+02
      2   0.543669D+01 -0.357937D+00  0.386988D+01  0.129998D+02  0.792985D+01
      3  -0.267592D+01 -0.859655D+01  0.211024D+01 -0.270198D+01  0.137704D+02
      4   0.310741D+00 -0.216244D+02  0.271942D+01 -0.275571D+02 -0.601680D+01
      5  -0.176031D+02 -0.285445D+01 -0.191877D+02 -0.165051D+02  0.111817D+01
      6   0.860266D+01 -0.426051D+01 -0.153887D+01 -0.161364D+01 -0.690033D+01
                16            17            18            19            20 
      1   0.888171D+01 -0.209513D+02 -0.289227D+01  0.400967D+02  0.111505D+02
      2   0.565539D+01  0.109897D+02 -0.302424D+01 -0.395727D+02 -0.155796D+02
      3  -0.145371D+02  0.996161D+01  0.591651D+01 -0.524024D+00  0.442911D+01
      4  -0.307298D+02 -0.941132D+00 -0.679215D+00  0.870973D+01 -0.110369D+02
      5  -0.515673D+01  0.812284D+00  0.268885D+01  0.167104D+02  0.525724D+01
      6  -0.484519D+01 -0.411013D+01  0.142546D+01  0.102267D+02 -0.389606D+00
                21            22            23            24            25 
      1   0.420558D+01  0.201407D+02  0.688540D+01  0.746938D+01 -0.130501D+01
      2  -0.370814D+01 -0.192622D+02 -0.125896D+02  0.280446D+01 -0.452255D+01
      3  -0.497439D+00 -0.878480D+00  0.570420D+01 -0.102738D+02  0.582755D+01
      4   0.595362D+01 -0.307843D+02 -0.486789D+01 -0.329486D+01  0.139908D+02
      5   0.427099D+01  0.557576D+01  0.571062D+01  0.485568D+01  0.300243D+01
      6   0.350934D+01  0.763997D+01  0.702188D+01  0.425105D+00  0.317833D+01
                26            27            28            29            30 
      1   0.923102D+01  0.145565D+02 -0.122138D+03 -0.129518D+02 -0.639224D+01
      2  -0.154167D+01  0.657693D+01  0.835710D+02  0.817407D+01  0.654962D+01
      3  -0.768935D+01 -0.211334D+02  0.385666D+02  0.477777D+01 -0.157379D+00
      4  -0.550883D+01  0.921706D+01 -0.141116D+02 -0.114652D+02  0.516082D+00
      5   0.536041D+01  0.595800D+01 -0.386482D+02 -0.197184D+01 -0.131695D+02
      6  -0.408599D+00 -0.206944D+01 -0.170958D+02 -0.630241D+01  0.257384D+00
                31            32            33            34            35 
      1  -0.356392D+02 -0.251138D+02  0.317408D+01 -0.305218D+02 -0.310118D+00
      2   0.260161D+02  0.222909D+02 -0.292423D+01  0.181480D+02 -0.199721D+01
      3   0.962303D+01  0.282288D+01 -0.249850D+00  0.123738D+02  0.230733D+01
      4  -0.974024D+01 -0.106946D+02  0.161523D+01 -0.670462D+01  0.143802D+01
      5  -0.100075D+02 -0.455250D+01 -0.167102D+00 -0.115437D+02  0.222014D+01
      6  -0.549861D+01 -0.932484D+01  0.458157D+01 -0.184209D+01  0.856721D+00
                36            37            38            39            40 
      1  -0.109835D+02  0.175766D+03  0.293360D+02  0.207622D+02  0.305562D+02
      2   0.124138D+01 -0.108242D+03 -0.177185D+02 -0.140255D+02 -0.160924D+02
      3   0.974213D+01 -0.675242D+02 -0.116175D+02 -0.673669D+01 -0.144638D+02
      4   0.143762D+01  0.329871D+02  0.189191D+02 -0.463538D+00  0.316807D+02
      5   0.192139D+01  0.596805D+02  0.392761D+01  0.128922D+02  0.441353D+01
      6  -0.498604D+01  0.193428D+02  0.631025D+01 -0.112155D+00  0.101859D+02
                41            42            43            44            45 
      1   0.587453D+01  0.930481D+01  0.789779D+01  0.853692D+01  0.126361D+02
      2   0.173124D+01  0.158130D+01 -0.109914D+02 -0.280278D+01 -0.166585D+01
      3  -0.760577D+01 -0.108861D+02  0.309365D+01 -0.573414D+01 -0.109703D+02
      4   0.717114D+01  0.291619D+01 -0.817802D+01 -0.239043D+01 -0.984574D+01
      5   0.302711D+01 -0.113028D+02  0.160052D+02 -0.876820D+01 -0.114129D+02
      6   0.104375D+01  0.400520D+01 -0.307121D+00  0.245524D+01 -0.972263D+01
                46            47            48            49            50 
      1  -0.163560D+03 -0.314998D+02 -0.389974D+02 -0.463530D+02 -0.175661D+02
      2   0.910390D+02  0.149835D+02  0.207734D+02  0.246048D+02  0.119054D+02
      3   0.725210D+02  0.165163D+02  0.182240D+02  0.217482D+02  0.566066D+01
      4  -0.528444D+02 -0.252273D+02 -0.986097D+01 -0.118531D+02 -0.891255D+01
      5  -0.750247D+02 -0.138612D+02 -0.238125D+02 -0.274767D+02 -0.257493D+01
      6  -0.193731D+02 -0.222535D+01 -0.559145D+01  0.359364D+00 -0.525270D+01
                51            52            53            54            55 
      1  -0.121045D+02 -0.339397D+02 -0.109405D+02 -0.181197D+02  0.176602D+03
      2   0.100788D+02  0.103830D+02  0.416105D+00  0.144432D+02 -0.929067D+02
      3   0.202564D+01  0.235567D+02  0.105243D+02  0.367652D+01 -0.836953D+02
      4  -0.100025D+01 -0.197215D+02  0.150866D+01  0.458974D+01  0.465209D+02
      5   0.485496D+01 -0.249682D+02  0.523513D+01  0.177711D+02  0.704547D+02
      6   0.194390D+01  0.334365D+01 -0.488145D+01 -0.430922D+01  0.104977D+02
                56            57            58            59            60 
      1   0.311726D+02  0.397553D+02  0.531351D+02  0.286665D+02  0.631847D+01
      2  -0.121623D+02 -0.249450D+02 -0.230742D+02 -0.657434D+01 -0.178359D+01
      3  -0.190104D+02 -0.148102D+02 -0.300610D+02 -0.220921D+02 -0.453487D+01
      4   0.325369D+02  0.100047D+02  0.534736D+02  0.338932D+02  0.173073D+02
      5   0.120904D+02  0.367500D+02  0.207879D+02  0.188896D+02  0.879652D+01
      6   0.578688D+01  0.461519D+01  0.103664D+02  0.853767D+01  0.961789D+01
                61            62            63            64            65 
      1   0.802242D+02  0.115247D+02  0.287187D+02 -0.305444D+02  0.170976D+02
      2  -0.493995D+02 -0.481277D+01 -0.256319D+02  0.943475D+01 -0.578898D+01
      3  -0.308247D+02 -0.671191D+01 -0.308672D+01  0.211097D+02 -0.113086D+02
      4   0.224069D+02  0.129363D+02  0.118791D+02  0.176623D+02 -0.109050D+01
      5   0.656461D+02  0.139023D+02  0.400770D+02 -0.207975D+02  0.250296D+02
      6   0.102158D+02  0.102616D+02  0.561603D+01  0.110807D+02 -0.116044D+02
                66            67            68            69            70 
      1  -0.164656D+02  0.988065D+01  0.106171D+02  0.347973D+02 -0.258358D+02
      2  -0.774596D+00  0.114023D+01 -0.705297D+01 -0.263044D+02  0.169217D+01
      3   0.172402D+02 -0.110209D+02 -0.356415D+01 -0.849282D+01  0.241436D+02
      4   0.301626D+02 -0.626019D+01  0.109711D+02  0.108938D+02  0.357639D+02
      5  -0.974205D-01  0.258712D+02  0.162671D+02 -0.129678D+02 -0.456108D+01
      6  -0.501738D+01 -0.765632D+01 -0.125451D+02 -0.677873D+01 -0.307041D+01
                71            72            73            74            75 
      1   0.359106D+02 -0.557602D+01 -0.500811D+02 -0.181131D+02 -0.142960D+02
      2  -0.268561D+02  0.612799D+01  0.212746D+02  0.816960D+01 -0.220302D+01
      3  -0.905458D+01 -0.551968D+00  0.288065D+02  0.994353D+01  0.164990D+02
      4   0.777507D+01 -0.459147D+01 -0.246059D+02  0.364973D+00 -0.316389D+01
      5  -0.911536D+01  0.100848D+02 -0.171192D+02 -0.373340D+01  0.101594D+02
      6  -0.761400D+01  0.385935D-01 -0.329999D+01 -0.292687D+01  0.905006D+01
                76            77            78            79            80 
      1  -0.146463D+02  0.845594D+01 -0.320736D+01 -0.370725D+01 -0.141325D+01
      2   0.111747D+02 -0.134296D+01  0.113540D+02 -0.567195D+01  0.799192D+01
      3   0.347156D+01 -0.711299D+01 -0.814664D+01  0.937920D+01 -0.657867D+01
      4   0.898854D+01  0.296697D+02  0.109579D+02 -0.134917D+00  0.353261D+01
      5  -0.596664D+01  0.183241D+02 -0.888990D+01  0.131173D+02 -0.878361D+01
      6   0.403558D+01  0.103841D+02 -0.209771D+01  0.737469D+01 -0.421736D+01
                81            82            83            84            85 
      1   0.240865D+02 -0.821054D+01 -0.129034D+02 -0.867397D+01 -0.147608D+02
      2  -0.531930D+01  0.138158D+02  0.302233D+02  0.109550D+02  0.272832D+02
      3  -0.187672D+02 -0.560526D+01 -0.173199D+02 -0.228104D+01 -0.125224D+02
      4  -0.424472D+01  0.617634D+01  0.925662D+01  0.969014D+01  0.200683D+02
      5  -0.848804D+01  0.140452D+01  0.962184D+01 -0.179949D+02  0.751976D+01
      6  -0.102807D+02  0.917796D+00  0.930912D+01 -0.161305D+02  0.234509D+01
                86            87            88            89            90 
      1   0.130371D+02  0.682817D+01 -0.247125D+02  0.825025D+01 -0.125631D+02
      2  -0.140391D+02 -0.612914D+01  0.251223D+02 -0.643817D+01  0.937820D+01
      3   0.100204D+01 -0.699033D+00 -0.409831D+00 -0.181208D+01  0.318491D+01
      4   0.118275D+02  0.587030D+01  0.159527D+02  0.119394D+02 -0.108825D+02
      5  -0.287556D+01 -0.375919D+00 -0.256327D+02 -0.638850D+01  0.574874D+01
      6  -0.480377D+01 -0.172453D+01 -0.198667D+02 -0.378996D+01  0.659664D+01
                91            92            93            94            95 
      1  -0.577523D+02 -0.349853D+01  0.345325D+02 -0.119009D+02  0.245269D+02
      2   0.359729D+02 -0.409048D+01 -0.101889D+02  0.372328D+01 -0.193391D+02
      3   0.217794D+02  0.758900D+01 -0.243436D+02  0.817765D+01 -0.518775D+01
      4  -0.225952D+01  0.160414D+02 -0.311138D-01  0.107752D+02  0.241992D+02
      5   0.318002D+02  0.193634D+01  0.866951D+01  0.700365D+01  0.336007D+01
      6   0.216959D+01 -0.774951D+01  0.139696D+01 -0.510681D+01 -0.108598D+02
                96            97            98            99           100 
      1  -0.281760D+01  0.183490D+02 -0.517189D+01  0.163901D+02  0.849846D+02
      2  -0.105835D+02 -0.244139D+01 -0.340134D+01 -0.897788D+01 -0.409376D+02
      3   0.134011D+02 -0.159076D+02  0.857323D+01 -0.741222D+01 -0.440470D+02
      4   0.632969D+01  0.322350D+01  0.191716D+01 -0.148346D+02  0.373630D+02
      5  -0.140384D+02  0.162104D+02 -0.127588D+02 -0.139058D+02  0.260778D+02
      6  -0.404001D+01 -0.119071D+01  0.172742D+01  0.114601D+02  0.801290D+01
               101           102           103           104           105 
      1   0.162075D+02  0.139447D+02  0.721995D+01  0.787259D+01  0.127878D+01
      2  -0.428665D+01 -0.836551D+01 -0.153556D+00  0.220770D+00 -0.126381D+01
      3  -0.119208D+02 -0.557916D+01 -0.706639D+01 -0.809336D+01 -0.149663D-01
      4   0.208153D+02  0.788084D+01  0.166856D+02  0.815057D+01  0.300781D+01
      5   0.661798D+01  0.145888D+02  0.350297D+01  0.245489D+01  0.264821D+01
      6   0.457992D+01  0.417222D+01  0.338868D+01  0.621992D+00  0.306076D+01
               106           107           108           109           110 
      1   0.378647D+01  0.112852D+01  0.556820D+01  0.474186D+00  0.599657D+01
      2  -0.326319D+01 -0.252842D+01 -0.502941D+01 -0.251911D+01 -0.350830D+01
      3  -0.523280D+00  0.139989D+01 -0.538796D+00  0.204492D+01 -0.248827D+01
      4   0.272846D+01  0.304068D+00  0.570517D+01  0.210617D+01 -0.178166D+01
      5   0.123326D+02  0.463957D+01  0.707209D+01  0.320109D+01  0.591941D-01
      6   0.337867D+01  0.284700D+01  0.348842D+01  0.399861D+01 -0.337564D+01
               111           112           113           114           115 
      1   0.110584D+02  0.265207D+01 -0.785297D+01 -0.536901D+01  0.725017D+01
      2  -0.201518D+00 -0.193863D+01  0.330050D+01  0.193945D+01 -0.319353D+01
      3  -0.108569D+02 -0.713438D+00  0.455247D+01  0.342956D+01 -0.405665D+01
      4   0.131068D+01  0.175867D+01  0.177166D+01  0.402853D+01  0.330484D+01
      5  -0.372266D+01  0.145556D+01  0.287815D+01  0.603289D+01  0.449004D+01
      6  -0.626582D+01 -0.102584D+01  0.636401D+01  0.113680D+02  0.192275D+00
               116           117           118           119           120 
      1  -0.787389D+01 -0.249066D+02  0.686535D+00 -0.204789D+00 -0.222901D+01
      2   0.137165D+01 -0.892874D+01 -0.458729D+01  0.119013D-01 -0.161871D+00
      3   0.650224D+01  0.338353D+02  0.390075D+01  0.192888D+00  0.239089D+01
      4   0.795905D+01  0.804973D+01 -0.138228D+01  0.295628D+01  0.448037D+00
      5   0.939972D+01  0.300357D+02 -0.651392D+00  0.144022D+01  0.681915D+01
      6   0.119535D+02  0.230604D+02  0.153507D+01  0.225889D+00 -0.339554D-01
               121           122           123           124           125 
      1   0.673949D+00 -0.687738D+01 -0.550043D+01 -0.138576D+01 -0.274268D+01
      2  -0.454252D+00  0.208032D+01 -0.241188D+01  0.148099D+01 -0.271574D+01
      3  -0.219697D+00  0.479705D+01  0.791231D+01 -0.952284D-01  0.545842D+01
      4   0.234926D+01 -0.269383D+01 -0.243064D+01 -0.312990D-02 -0.283130D+01
      5   0.193224D+01 -0.258153D+01 -0.351943D+01  0.535873D+01 -0.257986D+01
      6  -0.241465D+00  0.238087D+01  0.703900D+01 -0.644309D+00  0.582198D+01
               126           127           128           129           130 
      1  -0.246775D+02 -0.844547D+01  0.196602D+02  0.868491D+00  0.112612D+02
      2  -0.130289D+02  0.111578D+02 -0.279689D+02 -0.168923D+01 -0.147396D+02
      3   0.377065D+02 -0.271229D+01  0.830876D+01  0.820735D+00  0.347842D+01
      4  -0.443306D+01 -0.503296D+01  0.273852D+01 -0.715429D+00  0.585750D+01
      5  -0.126632D+02  0.442543D+00 -0.110487D+01  0.176918D+01 -0.978845D+00
      6   0.225997D+01  0.166299D+00 -0.102183D+00 -0.202302D+01  0.231494D+00
               131           132           133           134           135 
      1  -0.366200D+02 -0.693071D+00  0.422491D+01 -0.643399D+01 -0.433771D+01
      2   0.567499D+02  0.200183D+01 -0.394122D+01  0.100530D+02  0.528857D+01
      3  -0.201300D+02 -0.130876D+01 -0.283697D+00 -0.361904D+01 -0.950864D+00
      4   0.855253D+01 -0.311626D+00  0.314344D+00  0.144117D+01  0.218330D+01
      5   0.534418D+00  0.216239D+01  0.364704D+01  0.274027D+01 -0.204613D-01
      6  -0.578190D+00  0.733703D+01  0.549408D+00  0.870455D+01  0.162629D+01
               136           137           138           139           140 
      1   0.114503D+02  0.147314D+01 -0.254588D+01  0.296008D+01 -0.575962D+01
      2  -0.481310D+01  0.161512D+01  0.777454D+00 -0.493534D+00  0.971733D+01
      3  -0.663716D+01 -0.308826D+01  0.176843D+01 -0.246655D+01 -0.395771D+01
      4   0.177109D+02  0.140698D+02 -0.118392D+02  0.103737D+02  0.121489D+02
      5  -0.177272D+02 -0.100801D+02  0.181142D+02 -0.589540D+01 -0.918598D+01
      6  -0.109118D+02 -0.917895D+01  0.125232D+02 -0.681995D+01 -0.107447D+02
               141           142           143           144           145 
      1   0.282538D+01  0.211663D+00  0.610402D+01 -0.601038D+01  0.155057D+02
      2  -0.433821D+01 -0.875039D+00 -0.687523D+01 -0.252591D+01 -0.108174D+02
      3   0.151283D+01  0.663375D+00  0.771211D+00  0.853629D+01 -0.468834D+01
      4  -0.959247D+01 -0.168449D+02 -0.156174D+02  0.159550D+02 -0.254861D+02
      5   0.796979D+01  0.212927D+02  0.144073D+02 -0.259486D+02  0.279174D+02
      6   0.101903D+02  0.157932D+02  0.170329D+02 -0.235609D+02 -0.139558D+02
               146           147           148           149           150 
      1  -0.155455D+01  0.269332D+01 -0.768473D+00 -0.326533D+01  0.167464D+01
      2  -0.646064D+00 -0.645083D+01 -0.836633D+00  0.723756D+01 -0.135519D+01
      3   0.220061D+01  0.375751D+01  0.160511D+01 -0.397223D+01 -0.319452D+00
      4   0.191377D+02 -0.170923D+02  0.139431D+02 -0.144217D+02  0.104779D+02
      5  -0.146012D+02  0.242207D+02 -0.936111D+01  0.942454D+01 -0.867008D+01
      6   0.130688D+02 -0.145422D+02  0.927695D+01 -0.110454D+02  0.104481D+02
               151           152           153           154           155 
      1   0.340461D+01  0.197175D+01 -0.334114D+01 -0.658741D+01 -0.111434D+02
      2  -0.622632D+01  0.341300D+00 -0.799313D+01  0.827845D+01  0.169439D+02
      3   0.282170D+01 -0.231305D+01  0.113343D+02 -0.169103D+01 -0.580044D+01
      4  -0.141872D+02  0.106854D+02 -0.139914D+02  0.212082D+01  0.331190D+01
      5   0.206087D+02 -0.119821D+02  0.235030D+02 -0.114466D+01 -0.452105D+01
      6  -0.116392D+02  0.118359D+02 -0.168224D+02 -0.159784D+01 -0.176981D+01
               156           157           158           159           160 
      1   0.999896D+00 -0.706049D+01 -0.253439D+02 -0.158468D+01 -0.192489D+01
      2   0.224611D+01  0.108541D+02  0.424869D+02  0.591977D+01  0.364035D+01
      3  -0.324601D+01 -0.379361D+01 -0.171431D+02 -0.433509D+01 -0.171546D+01
      4  -0.121157D+01  0.480914D+01 -0.907069D+01  0.664770D+00  0.241799D-02
      5   0.895497D+00 -0.461585D+01 -0.523474D+01 -0.390715D+01  0.611935D+00
      6   0.197818D+01 -0.390284D+00 -0.602612D+01  0.606545D+01  0.489325D+00
               161           162           163           164           165 
      1  -0.917627D+01 -0.350043D+01 -0.761781D+01 -0.229139D+01  0.109694D+02
      2   0.150240D+02  0.490795D+01 -0.509430D+01  0.606065D+01  0.458240D+01
      3  -0.584770D+01 -0.140752D+01  0.127121D+02 -0.376927D+01 -0.155518D+02
      4  -0.365724D+01 -0.912307D+00  0.688320D+01 -0.130435D+01 -0.610545D+01
      5  -0.355498D+01 -0.219102D+01 -0.444469D+01 -0.815572D+00  0.360617D+01
      6   0.385420D+01  0.396798D+01 -0.245502D+01 -0.239553D+01  0.380540D+01
               166           167           168           169           170 
      1   0.182171D+01 -0.292066D+01 -0.634717D+01  0.863644D+01 -0.236595D+01
      2   0.393873D+01 -0.137055D+00 -0.211445D+01  0.487011D+01 -0.181738D+01
      3  -0.576044D+01  0.305772D+01  0.846162D+01 -0.135065D+02  0.418334D+01
      4  -0.262459D+01  0.302183D+01  0.195842D+01 -0.715971D+01  0.232264D+01
      5   0.113514D+00 -0.983251D+00  0.190723D+01  0.540612D+01 -0.133063D+01
      6  -0.205419D+01  0.314789D+01  0.110379D+01  0.172368D+01  0.373624D+01
               171           172           173           174           175 
      1  -0.157840D+02 -0.352002D+01 -0.130510D+02 -0.548707D+01 -0.945781D+01
      2  -0.947883D+01  0.356506D+01  0.104978D+02  0.308153D+01  0.386958D+01
      3   0.252628D+02 -0.450423D-01  0.255320D+01  0.240554D+01  0.558823D+01
      4   0.480716D+01 -0.140538D+01 -0.388500D+01 -0.445059D+01  0.769937D+01
      5   0.197188D+01  0.205664D+01 -0.361732D+01 -0.252528D+01  0.193979D+01
      6  -0.647555D+01  0.185854D+01  0.693377D+01  0.526947D+01 -0.251790D+00
               176           177           178           179           180 
      1  -0.234467D+02 -0.142557D+02 -0.226353D+01 -0.146842D+02 -0.106375D+02
      2   0.273780D+02  0.104566D+02  0.187978D+01  0.103023D+02  0.358947D+01
      3  -0.393134D+01  0.379915D+01  0.383755D+00  0.438191D+01  0.704799D+01
      4  -0.297366D+02 -0.139479D+02  0.127807D+00 -0.135956D+02 -0.980761D+01
      5  -0.141055D+02 -0.105343D+02  0.462936D+01 -0.980751D+01 -0.136261D+02
      6   0.214129D+02  0.154495D+02 -0.121017D+00  0.152635D+02  0.137199D+02
               181           182           183           184           185 
      1   0.719522D+02 -0.196596D+02  0.141985D+02 -0.171764D+02  0.939178D+01
      2  -0.289078D+02  0.379002D+01 -0.399758D+01  0.178684D+01  0.136134D+01
      3  -0.430444D+02  0.158695D+02 -0.102010D+02  0.153895D+02 -0.107531D+02
      4  -0.379243D+02  0.208157D+02 -0.906920D+01  0.229656D+02 -0.176484D+02
      5   0.899724D+01 -0.441313D+01  0.125543D+02 -0.414659D+01  0.147830D+01
      6  -0.364238D+01  0.167261D+01 -0.372872D+01  0.149947D+01  0.547561D-01
               186           187           188           189           190 
      1  -0.571961D+01  0.306108D+02 -0.102265D+02  0.120997D+02  0.192889D+02
      2   0.159055D+01 -0.106265D+02  0.229677D+01 -0.551081D+01 -0.135947D+02
      3   0.412906D+01 -0.199844D+02  0.792974D+01 -0.658891D+01 -0.569416D+01
      4   0.420010D+01 -0.201428D+02  0.116011D+02 -0.760311D+01  0.250753D+01
      5  -0.282730D+01  0.140647D+02 -0.448668D+01  0.121798D+02 -0.141133D+02
      6   0.372958D+01 -0.472660D+01  0.376655D+01 -0.499829D+01 -0.136240D+01
               191           192           193           194           195 
      1   0.468007D+01 -0.904453D+01  0.137447D+02  0.357655D+01 -0.932693D+01
      2  -0.487328D+01  0.104501D+02 -0.111490D+02 -0.536036D+01  0.127232D+02
      3   0.193214D+00 -0.140559D+01 -0.259570D+01  0.178381D+01 -0.339623D+01
      4   0.599140D+01 -0.598021D+01  0.625946D+01  0.137487D+02 -0.980541D+01
      5  -0.839017D+01  0.155425D+02 -0.150751D+02 -0.119579D+02  0.180073D+02
      6  -0.159909D+00  0.224247D+00 -0.356728D+00 -0.363143D+01  0.325200D+01
               196           197           198           199           200 
      1  -0.111980D+02 -0.667411D+01  0.802184D+01 -0.889395D+00 -0.155859D+01
      2   0.138028D+02  0.101164D+02 -0.193567D+02  0.184219D+01  0.139385D+01
      3  -0.260480D+01 -0.344231D+01  0.113349D+02 -0.952796D+00  0.164748D+00
      4  -0.586311D+01 -0.105153D+02  0.739343D+01 -0.919078D+00  0.116936D+01
      5   0.220691D+02  0.110564D+02 -0.330192D+02 -0.296120D+01  0.105337D+01
      6  -0.506417D+00  0.491469D+01  0.654343D+00  0.735702D+00  0.653944D-01
               201           202           203           204           205 
      1  -0.192578D+01 -0.157126D+01 -0.113670D+01 -0.439328D+01 -0.285986D+01
      2   0.160409D+01 -0.167284D+01  0.124099D+01  0.239687D+01  0.234148D+01
      3   0.321699D+00  0.324410D+01 -0.104290D+00  0.199641D+01  0.518374D+00
      4   0.183510D+01  0.955643D+00 -0.107507D+01 -0.220506D+01  0.255634D+01
      5   0.354547D+01  0.893215D+00 -0.733181D+00 -0.220091D+01  0.378596D+01
      6  -0.319028D+00 -0.720976D+00  0.360599D+01  0.332683D+01  0.443305D-01
               206           207           208           209           210 
      1  -0.481349D+01 -0.809930D+01  0.113128D+00  0.139742D+01  0.318618D+01
      2   0.373103D+01  0.134899D+01 -0.229430D+01 -0.751987D+00 -0.905456D+00
      3   0.108246D+01  0.675031D+01  0.218117D+01 -0.645429D+00 -0.228072D+01
      4  -0.204714D+01 -0.413866D+01  0.169758D+01  0.190118D+01  0.180277D+01
      5  -0.332343D+01 -0.701639D+01  0.316900D+01  0.214303D+01  0.608950D+01
      6   0.445025D+01  0.685145D+01  0.218326D+01 -0.151849D+00  0.467448D+00
               211           212           213           214           215 
      1   0.210951D+01 -0.646041D+01 -0.821849D+01  0.294628D+01 -0.780461D+01
      2  -0.309951D+01  0.173069D+01 -0.172781D+00 -0.252551D+01  0.924321D+00
      3   0.990001D+00  0.472972D+01  0.839127D+01 -0.420769D+00  0.688029D+01
      4  -0.541044D+00  0.337222D+01  0.391020D+01  0.231075D+01  0.416949D+01
      5   0.303972D+01  0.474801D+01  0.852909D+01  0.461127D+01  0.676291D+01
      6  -0.770991D+00  0.546651D+01  0.663416D+01  0.149697D+01  0.786043D+01
               216           217           218           219           220 
      1  -0.241656D+02  0.277752D+01 -0.869690D+01 -0.622701D+01 -0.101436D+02
      2  -0.651990D+01  0.264338D+00  0.682239D+01  0.167095D+01  0.544965D+01
      3   0.306855D+02 -0.304186D+01  0.187451D+01  0.455605D+01  0.469398D+01
      4   0.564633D+01 -0.339487D+01 -0.322529D+01 -0.104643D+01  0.571744D+01
      5   0.222663D+02 -0.154360D+01  0.649373D+00 -0.363303D+01  0.693932D+01
      6   0.952891D+01  0.216167D+01  0.391414D+01  0.172516D+01 -0.108129D+01
               221           222           223           224           225 
      1  -0.215430D+02 -0.389552D+01 -0.453562D+01 -0.300351D+01 -0.723317D+01
      2   0.286467D+02  0.255616D+01  0.193108D+01  0.106540D+00  0.284086D+01
      3  -0.710366D+01  0.133936D+01  0.260454D+01  0.289697D+01  0.439231D+01
      4  -0.441442D+02 -0.104249D+02 -0.972346D+00 -0.308546D+01 -0.411507D+01
      5  -0.783873D+01 -0.108584D+02  0.298846D+00 -0.399908D+01 -0.317733D+01
      6   0.201557D+02  0.991271D+01  0.422119D-01  0.691036D+01  0.269701D+01
               226           227           228           229           230 
      1  -0.570305D+01  0.689410D+01 -0.166827D+02  0.814654D+01 -0.123587D+02
      2  -0.102674D+01 -0.140588D+01  0.199273D+00 -0.362767D+01  0.459606D+01
      3   0.672979D+01 -0.548822D+01  0.164835D+02 -0.451887D+01  0.776264D+01
      4   0.413228D+01 -0.572689D+01  0.158988D+01 -0.218118D+01  0.534606D+01
      5  -0.123693D+01 -0.299096D+00 -0.831077D+01 -0.307008D+01 -0.667974D+01
      6  -0.298730D+01  0.458147D+01 -0.262397D+01  0.240330D+01 -0.593599D+01
               231           232           233           234           235 
      1   0.913706D+01 -0.163832D+02  0.770249D+01 -0.234319D+02  0.855383D+02
      2   0.335836D+01  0.523442D+01  0.156424D+01 -0.719103D+01 -0.480884D+02
      3  -0.124954D+02  0.111487D+02 -0.926673D+01  0.306229D+02 -0.374499D+02
      4  -0.857259D+01  0.312741D+01 -0.848120D+01  0.798319D+01 -0.766932D+01
      5   0.127227D+02  0.139159D+01  0.641451D+01 -0.228262D+02 -0.453287D+02
      6   0.906070D+01 -0.184407D+01  0.691248D+01 -0.671273D+01  0.342602D-01
               236           237           238           239           240 
      1  -0.862489D+00 -0.231170D+02  0.516190D+01  0.653140D+01 -0.119339D+01
      2  -0.197167D+00  0.168471D+02 -0.322213D+01 -0.237089D+01  0.213937D+01
      3   0.105966D+01  0.626997D+01 -0.193977D+01 -0.416051D+01 -0.945975D+00
      4   0.117799D+02  0.217620D+01  0.111048D+02 -0.161860D+01 -0.463131D+01
      5   0.509721D+00  0.252170D+02 -0.347819D+01 -0.573252D+01  0.388040D+01
      6  -0.384253D+01 -0.101674D+01 -0.372541D+01  0.511784D+00  0.285917D+01
               241           242           243 
      1  -0.135895D+02  0.374433D+00  0.980247D+01
      2   0.115387D+02  0.662613D+00 -0.979570D+01
      3   0.205084D+01 -0.103705D+01 -0.677105D-02
      4   0.791724D+00 -0.259110D+01  0.849794D+00
      5   0.189748D+02  0.142856D+01 -0.130769D+02
      6  -0.122409D+01  0.220871D+01 -0.277549D+00
 Leave Link  716 at Thu Aug 12 23:27:37 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.171416D+03  0.710898D+01  0.559954D+01
      2   0.710898D+01  0.111810D+03  0.417271D+01
      3   0.559954D+01  0.417271D+01  0.114404D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.898238D+01  0.950787D+01 -0.340852D+01
      2   0.112343D+02 -0.112857D+02  0.184311D+02
      3   0.303834D+02 -0.456696D+02  0.190742D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.595904D+02 -0.456745D+02 -0.252964D+02
      2   0.541531D+02  0.405451D+02 -0.377956D+01
      3   0.543723D+01  0.512941D+01  0.290759D+02
      4  -0.431940D+02  0.102226D+03 -0.413644D+02
      5  -0.211200D+02 -0.464252D+02  0.283717D+02
      6  -0.244239D+02  0.136737D+02 -0.975741D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.232475D+01  0.166088D+01 -0.463237D+01  0.894775D+00  0.934647D+00
      2   0.166088D+01  0.832285D+00  0.395818D+01  0.934647D+00  0.318174D+01
      3  -0.463237D+01  0.395818D+01 -0.743113D+00  0.401054D+01  0.146812D+01
                 6             7             8             9            10 
      1   0.401054D+01 -0.480484D+01  0.400119D+01 -0.431169D+00  0.186389D+02
      2   0.146812D+01  0.400119D+01  0.206438D+01 -0.382037D+00 -0.246083D+01
      3  -0.109080D+01 -0.431169D+00 -0.382037D+00 -0.192435D+01  0.566429D+01
                11            12            13            14            15 
      1  -0.246083D+01  0.566429D+01 -0.585986D+01  0.119153D+01 -0.457645D+01
      2  -0.176159D-01 -0.373794D+01  0.119153D+01 -0.490726D+01 -0.245995D+01
      3  -0.373794D+01  0.312008D+00 -0.457645D+01 -0.245995D+01  0.119745D+00
                16            17            18            19            20 
      1   0.167056D+02 -0.449597D+01  0.199505D+01 -0.396736D+02 -0.192457D+01
      2  -0.449597D+01 -0.225752D+01  0.181565D+00 -0.192457D+01 -0.444004D+01
      3   0.199505D+01  0.181565D+00  0.106801D+01 -0.500461D+01  0.115100D+01
                21            22            23            24            25 
      1  -0.500461D+01  0.369007D+01 -0.844136D+01  0.283882D+01 -0.758748D+01
      2   0.115100D+01 -0.844136D+01 -0.198109D+01 -0.668832D+00  0.247046D+01
      3  -0.776577D+00  0.283882D+01 -0.668832D+00  0.310370D+01 -0.102762D+01
                26            27            28            29            30 
      1   0.247046D+01 -0.102762D+01  0.589001D+02  0.619841D+01  0.585202D+01
      2  -0.975843D+00  0.293097D+01  0.619841D+01  0.388788D+01 -0.249587D+00
      3   0.293097D+01  0.379467D+01  0.585202D+01 -0.249587D+00  0.214357D+01
                31            32            33            34            35 
      1   0.124740D+02  0.709280D+01 -0.486407D+00  0.997083D+01 -0.537460D-01
      2   0.709280D+01  0.395889D+01 -0.162768D+00 -0.537460D-01  0.914263D+00
      3  -0.486407D+00 -0.162768D+00 -0.168875D+01  0.390293D+01 -0.192421D+01
                36            37            38            39            40 
      1   0.390293D+01 -0.579044D+02 -0.813785D+01 -0.693246D+01 -0.126771D+02
      2  -0.192421D+01 -0.813785D+01 -0.310916D+01  0.160480D+00 -0.555135D+01
      3  -0.228595D+01 -0.693246D+01  0.160480D+00 -0.763548D+00 -0.616191D-01
                41            42            43            44            45 
      1  -0.555135D+01 -0.616191D-01 -0.844389D+01  0.175721D+00 -0.327379D+01
      2  -0.300422D+01 -0.239874D+00  0.175721D+00 -0.109916D+01  0.264853D+01
      3  -0.239874D+00  0.282190D+01 -0.327379D+01  0.264853D+01  0.258023D+01
                46            47            48            49            50 
      1   0.404684D+02  0.804752D+01  0.674319D+01  0.879752D+01  0.217946D+01
      2   0.804752D+01  0.608419D+00  0.149780D+01  0.217946D+01  0.757700D+00
      3   0.674319D+01  0.149780D+01  0.162226D+00  0.248156D+01  0.131810D+00
                51            52            53            54            55 
      1   0.248156D+01  0.333558D+01  0.189101D+01  0.256517D+01 -0.332074D+02
      2   0.131810D+00  0.189101D+01  0.294763D+00 -0.106316D+01 -0.617958D+01
      3  -0.144460D+01  0.256517D+01 -0.106316D+01 -0.264761D+01 -0.615658D+01
                56            57            58            59            60 
      1  -0.617958D+01 -0.615658D+01 -0.125530D+02 -0.642631D+01 -0.173659D+01
      2  -0.199766D+01 -0.117326D+01 -0.642631D+01 -0.388091D+01 -0.216919D+01
      3  -0.117326D+01 -0.219909D+01 -0.173659D+01 -0.216919D+01 -0.552728D+00
                61            62            63            64            65 
      1  -0.179716D+02 -0.320311D+01 -0.621393D+01 -0.659692D+01  0.153681D+01
      2  -0.320311D+01 -0.130069D+01 -0.155397D+01  0.153681D+01  0.700373D+00
      3  -0.621393D+01 -0.155397D+01 -0.414782D+01 -0.345060D+01  0.413556D+01
                66            67            68            69            70 
      1  -0.345060D+01  0.132322D+01 -0.466638D+00  0.414546D+01 -0.735963D+01
      2   0.413556D+01 -0.466638D+00  0.281830D+01  0.340081D+01  0.414050D+01
      3   0.607983D-01  0.414546D+01  0.340081D+01 -0.123552D+01 -0.142026D+01
                71            72            73            74            75 
      1   0.414050D+01 -0.142026D+01 -0.676778D+01 -0.198701D+01 -0.161899D+01
      2   0.309590D+01 -0.442169D+00 -0.198701D+01  0.177805D+01 -0.367334D+00
      3  -0.442169D+00  0.157926D+01 -0.161899D+01 -0.367334D+00  0.298249D+01
                76            77            78            79            80 
      1  -0.189324D+01  0.245141D+01 -0.785261D+00  0.245533D+00 -0.241848D+00
      2   0.245141D+01  0.601644D+01  0.252329D+01 -0.241848D+00  0.218247D+01
      3  -0.785261D+00  0.252329D+01 -0.188331D+01  0.275360D+01 -0.251723D+01
                81            82            83            84            85 
      1   0.275360D+01  0.580982D+01  0.221188D+01  0.107754D+01  0.555572D+01
      2  -0.251723D+01  0.221188D+01  0.486466D+01  0.275586D+01  0.664067D+01
      3  -0.291022D+01  0.107754D+01  0.275586D+01 -0.344340D+01  0.190271D+01
                86            87            88            89            90 
      1   0.664067D+01  0.190271D+01  0.687960D+01  0.488013D+01 -0.367844D+01
      2  -0.153173D+01  0.387447D+00  0.488013D+01  0.370894D+00 -0.137229D+00
      3   0.387447D+00  0.131673D+00 -0.367844D+01 -0.137229D+00  0.462273D+00
                91            92            93            94            95 
      1   0.896016D+01  0.100697D+01 -0.303322D+01  0.234282D+01 -0.152148D+01
      2   0.100697D+01 -0.232893D+01  0.259174D-01 -0.152148D+01 -0.409868D+01
      3  -0.303322D+01  0.259174D-01 -0.258077D+01 -0.580796D+00 -0.128146D+01
                96            97            98            99           100 
      1  -0.580796D+00 -0.484938D+00 -0.339232D+00 -0.332627D+01  0.116082D+02
      2  -0.128146D+01 -0.339232D+00 -0.675745D+00  0.228950D+01  0.271317D+01
      3   0.257017D+01 -0.332627D+01  0.228950D+01  0.107274D+01  0.241353D+01
               101           102           103           104           105 
      1   0.271317D+01  0.241353D+01  0.124843D+01  0.157098D+01  0.294436D+00
      2   0.202681D+01  0.619736D+00  0.157098D+01  0.708770D+00  0.265332D+00
      3   0.619736D+00  0.139132D+01  0.294436D+00  0.265332D+00  0.388713D+00
               106           107           108           109           110 
      1   0.638998D+00  0.234910D+00  0.120327D+01 -0.373317D+00  0.557461D+00
      2   0.234910D+00 -0.112704D+00  0.686575D+00  0.557461D+00 -0.971033D+00
      3   0.120327D+01  0.686575D+00  0.108018D+01  0.110505D+01 -0.416835D+00
               111           112           113           114           115 
      1   0.110505D+01  0.221360D+00 -0.191299D+00  0.178290D-01  0.949063D+00
      2  -0.416835D+00 -0.191299D+00  0.760229D+00  0.110428D+01 -0.115909D-03
      3  -0.210715D+01  0.178290D-01  0.110428D+01  0.156270D+01 -0.275056D+00
               116           117           118           119           120 
      1  -0.115909D-03 -0.275056D+00 -0.426778D+00 -0.513663D+00 -0.796368D+00
      2   0.190772D+01  0.222048D+01 -0.513663D+00  0.326151D+00 -0.121742D+00
      3   0.222048D+01  0.776420D+01 -0.796368D+00 -0.121742D+00 -0.995212D-01
               121           122           123           124           125 
      1  -0.187207D+01  0.392773D+00 -0.484808D-01 -0.990119D+00  0.683251D-01
      2   0.392773D+00 -0.813942D+00 -0.125352D+01  0.683251D-01 -0.125529D+01
      3  -0.484808D-01 -0.125352D+01 -0.175104D+01  0.410056D+00 -0.118793D+01
               126           127           128           129           130 
      1   0.410056D+00 -0.206276D+01  0.188577D+01 -0.964717D-01  0.468701D+00
      2  -0.118793D+01  0.188577D+01 -0.425555D+01 -0.292331D+00 -0.208646D+01
      3  -0.710078D+01 -0.964717D-01 -0.292331D+00 -0.270231D+00 -0.290208D+00
               131           132           133           134           135 
      1  -0.208646D+01 -0.290208D+00  0.216320D+00 -0.640766D+00  0.185813D+00
      2   0.844352D+01  0.122530D+00 -0.640766D+00  0.155186D+01  0.121190D+01
      3   0.122530D+00  0.868276D+00  0.185813D+00  0.121190D+01  0.282003D+00
               136           137           138           139           140 
      1   0.320901D+01  0.166906D+01 -0.211070D+01 -0.147062D+00  0.884190D+00
      2   0.166906D+01  0.151567D+01 -0.148017D+01  0.884190D+00  0.234360D+01
      3  -0.211070D+01 -0.148017D+01  0.258684D+01 -0.109682D+01 -0.159522D+01
               141           142           143           144           145 
      1  -0.109682D+01 -0.428878D+01 -0.242363D+01  0.297139D+01  0.551263D+01
      2  -0.159522D+01 -0.242363D+01 -0.280825D+01  0.251516D+01 -0.248898D+01
      3   0.130450D+01  0.297139D+01  0.251516D+01 -0.474235D+01  0.338604D+01
               146           147           148           149           150 
      1  -0.248898D+01  0.338604D+01 -0.140907D+01  0.162777D+01 -0.137522D+01
      2   0.245437D+01 -0.220895D+01  0.162777D+01 -0.247422D+01  0.149561D+01
      3  -0.220895D+01  0.328477D+01 -0.137522D+01  0.149561D+01 -0.125829D+01
               151           152           153           154           155 
      1   0.239977D+01 -0.169792D+01  0.250472D+01 -0.139378D+01 -0.156589D+01
      2  -0.169792D+01  0.141014D+01 -0.195496D+01 -0.156589D+01 -0.241776D+01
      3   0.250472D+01 -0.195496D+01  0.395708D+01  0.134475D+00 -0.421128D+00
               156           157           158           159           160 
      1   0.134475D+00 -0.125667D+01 -0.150156D+01 -0.431145D+00 -0.451970D+00
      2  -0.421128D+00 -0.150156D+01 -0.682511D+01 -0.495562D+00 -0.731118D+00
      3  -0.557125D+00 -0.431145D+00 -0.495562D+00 -0.115171D+01 -0.372555D+00
               161           162           163           164           165 
      1  -0.731118D+00 -0.372555D+00 -0.365187D+01  0.697071D+00  0.218243D+01
      2  -0.253944D+01 -0.868549D+00  0.697071D+00 -0.109752D+01 -0.372749D+00
      3  -0.868549D+00 -0.851723D+00  0.218243D+01 -0.372749D+00 -0.233339D+01
               166           167           168           169           170 
      1   0.164229D+01 -0.103731D+01 -0.795309D+00  0.194975D+01 -0.665992D+00
      2  -0.103731D+01  0.724553D+00  0.385248D+00 -0.665992D+00  0.673500D+00
      3  -0.795309D+00  0.385248D+00  0.149234D+01 -0.205566D+01  0.328395D+00
               171           172           173           174           175 
      1  -0.205566D+01 -0.363735D+00 -0.784707D+00 -0.105153D+00 -0.138155D+01
      2   0.328395D+00 -0.784707D+00 -0.195386D+01 -0.123894D+01  0.349413D+00
      3   0.419884D+01 -0.105153D+00 -0.123894D+01 -0.106619D+01 -0.121193D+00
               176           177           178           179           180 
      1   0.349413D+00 -0.121193D+00 -0.172791D+00 -0.227008D+00  0.298788D+00
      2  -0.619460D+01 -0.294153D+01 -0.227008D+00 -0.280856D+01 -0.215584D+01
      3  -0.294153D+01 -0.214333D+01  0.298788D+00 -0.215584D+01 -0.268312D+01
               181           182           183           184           185 
      1   0.879250D+01 -0.303356D+01  0.174268D+01 -0.235087D+01  0.221057D+01
      2  -0.303356D+01  0.176775D+01 -0.865763D+00  0.221057D+01 -0.197979D+01
      3   0.174268D+01 -0.865763D+00  0.142976D+01 -0.801509D+00  0.231263D+00
               186           187           188           189           190 
      1  -0.801509D+00  0.527472D+01 -0.188038D+01  0.189368D+01  0.283382D+01
      2   0.231263D+00 -0.188038D+01  0.110725D+01 -0.699811D+00  0.755068D+00
      3  -0.416165D+00  0.189368D+01 -0.699811D+00  0.156697D+01 -0.134493D+01
               191           192           193           194           195 
      1   0.755068D+00 -0.134493D+01  0.205050D+01  0.838242D+00 -0.178127D+01
      2   0.622729D+00 -0.981607D+00  0.838242D+00  0.209728D+01 -0.176628D+01
      3  -0.981607D+00  0.154934D+01 -0.178127D+01 -0.176628D+01  0.243695D+01
               196           197           198           199           200 
      1  -0.177610D+01 -0.103887D+01  0.248311D+01  0.142312D+01  0.768736D+00
      2  -0.103887D+01 -0.182622D+01  0.144499D+01  0.768736D+00  0.672532D-01
      3   0.248311D+01  0.144499D+01 -0.451632D+01  0.121001D+01 -0.118714D+00
               201           202           203           204           205 
      1   0.121001D+01  0.141463D+01 -0.917765D+00  0.183008D+00  0.157832D+01
      2  -0.118714D+00 -0.917765D+00  0.717394D+00  0.109096D+01  0.339567D+00
      3  -0.422564D+00  0.183008D+00  0.109096D+01  0.158781D+01 -0.367462D+00
               206           207           208           209           210 
      1   0.339567D+00 -0.367462D+00 -0.894004D+00 -0.544583D+00 -0.962340D+00
      2   0.137417D+01  0.155242D+01 -0.544583D+00 -0.578923D-01 -0.157726D-01
      3   0.155242D+01  0.442919D+01 -0.962340D+00 -0.157726D-01  0.918658D-01
               211           212           213           214           215 
      1  -0.875646D+00  0.177903D+00 -0.383240D+00 -0.151115D+01 -0.281522D+00
      2   0.177903D+00 -0.119858D+01 -0.141942D+01 -0.281522D+00 -0.163185D+01
      3  -0.383240D+00 -0.141942D+01 -0.242152D+01 -0.209216D+00 -0.211236D+01
               216           217           218           219           220 
      1  -0.209216D+00 -0.914049D+00  0.720344D+00  0.291674D+00  0.201855D+01
      2  -0.211236D+01  0.720344D+00  0.112087D+01  0.262877D+00 -0.799265D-01
      3  -0.690459D+01  0.291674D+00  0.262877D+00  0.953032D+00 -0.650171D+00
               221           222           223           224           225 
      1  -0.799265D-01 -0.650171D+00  0.963796D+00  0.110750D+00  0.203999D+00
      2   0.729089D+01  0.164804D+01  0.110750D+00  0.561150D+00  0.773803D+00
      3   0.164804D+01  0.175004D+01  0.203999D+00  0.773803D+00  0.705798D+00
               226           227           228           229           230 
      1   0.556456D+00 -0.994933D+00  0.112426D+01 -0.127786D+01  0.692368D+00
      2  -0.994933D+00  0.115251D+01 -0.422644D+00  0.692368D+00 -0.118081D+01
      3   0.112426D+01 -0.422644D+00  0.253619D+01 -0.143083D+00  0.164770D+01
               231           232           233           234           235 
      1  -0.143083D+00  0.259857D+01 -0.431127D+00  0.773592D+00 -0.101580D+02
      2   0.164770D+01 -0.431127D+00  0.149367D+01 -0.150319D+01  0.187013D+00
      3  -0.255002D+01  0.773592D+00 -0.150319D+01  0.502030D+01  0.331761D+01
               236           237           238           239           240 
      1   0.187013D+00  0.331761D+01 -0.588491D+00 -0.101325D+01  0.270412D+00
      2  -0.107875D+01 -0.819561D-01 -0.101325D+01  0.251630D+00  0.551162D+00
      3  -0.819561D-01 -0.212153D+01  0.270412D+00  0.551162D+00 -0.550744D+00
               241           242           243 
      1   0.213682D+01  0.397817D-01 -0.149374D+01
      2   0.397817D-01  0.289123D+00 -0.281665D+00
      3  -0.149374D+01 -0.281665D+00  0.115307D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.644418D+01  0.985744D+01  0.581200D+01  0.932784D+01  0.983350D+01
      2  -0.845014D+01  0.213349D+01  0.825360D+01  0.636004D+01  0.370652D+00
      3  -0.293603D+01 -0.819349D+01  0.245241D+01 -0.628218D+00 -0.697651D+01
                 6             7             8             9            10 
      1  -0.218642D+01  0.590094D+01  0.507933D+01 -0.566820D+01  0.476383D+01
      2  -0.784246D+01  0.360908D+01 -0.771145D+01 -0.267055D+01  0.186197D+02
      3  -0.987553D+01  0.121363D+01 -0.116137D+02  0.973814D+00  0.893788D+01
                11            12            13            14            15 
      1  -0.556273D+01 -0.416645D-01 -0.677557D+01 -0.650962D+01 -0.568989D+01
      2  -0.873206D+01  0.493280D+01 -0.114756D+02 -0.394959D+01  0.574805D+00
      3  -0.187561D+01  0.791741D+01  0.810399D+01  0.132852D+02  0.104459D+02
                16            17            18            19            20 
      1   0.126938D+01  0.398785D+01 -0.331981D+00  0.228485D+01  0.330356D+01
      2   0.355516D+01  0.180140D+01  0.304074D+01 -0.268393D+02 -0.153351D+01
      3   0.960904D+01  0.109125D+02 -0.102714D+01 -0.154493D+02 -0.415056D+01
                21            22            23            24            25 
      1  -0.141944D+01  0.581359D+01  0.359319D+01 -0.274588D+01 -0.324109D+01
      2  -0.368137D+00 -0.108136D+00 -0.680571D+01  0.478957D+01 -0.158815D+02
      3  -0.340751D+01  0.623298D+01 -0.630375D+01  0.262279D+01 -0.286948D+01
                26            27            28            29            30 
      1   0.436843D+01 -0.424133D+01 -0.840615D+01  0.424165D+00 -0.376709D+00
      2   0.259406D+01  0.261507D+00  0.296076D+02  0.571509D+01 -0.810877D+00
      3   0.158412D+00 -0.196188D+01  0.165673D+02  0.852065D+01 -0.153214D+00
                31            32            33            34            35 
      1   0.648084D+01 -0.923959D+00 -0.300159D+01 -0.288181D+01  0.185245D+01
      2   0.127515D+02  0.344527D+01  0.666976D-01 -0.199279D+02 -0.166168D+01
      3   0.349608D+02  0.926210D+01  0.257135D+01 -0.650651D+00 -0.346767D+00
                36            37            38            39            40 
      1   0.356700D+01  0.842259D+01 -0.166243D+01  0.987219D+00 -0.801933D+01
      2   0.228085D+00 -0.206068D+02 -0.546802D+01  0.310877D+01 -0.123154D+02
      3   0.313482D+00 -0.229427D+02 -0.119509D+02 -0.693088D+00 -0.413851D+01
                41            42            43            44            45 
      1   0.156942D+00 -0.432519D+00  0.812655D+01  0.242666D+01 -0.853548D+00
      2  -0.370493D+01 -0.497758D+01 -0.133748D+02 -0.622994D+01 -0.117658D+02
      3  -0.368721D+01  0.206511D+01  0.156304D+01  0.290689D+01  0.347448D+01
                46            47            48            49            50 
      1  -0.700367D+01  0.998455D+01 -0.744035D+00  0.584443D+01 -0.685380D+01
      2   0.379913D+01  0.621845D+01 -0.453760D+01  0.286658D+01 -0.220569D-01
      3   0.146852D+02  0.154834D+02  0.348476D+00  0.239584D+02  0.500807D+01
                51            52            53            54            55 
      1  -0.151523D+02 -0.356489D+00 -0.315490D+01  0.994905D+01  0.390522D+01
      2  -0.142271D+01 -0.193004D+02  0.446639D+00  0.890354D+01 -0.336262D+01
      3  -0.377248D+01 -0.122298D+00  0.446731D+00 -0.725290D+00 -0.117763D+02
                56            57            58            59            60 
      1  -0.278027D+01 -0.703582D+00  0.194539D+01  0.296419D+01  0.113104D+01
      2  -0.156703D+01  0.148220D+02 -0.349790D+01  0.254774D+01  0.612220D+01
      3  -0.179240D+02 -0.214548D+01 -0.137306D+02 -0.133725D+02 -0.393896D+01
                61            62            63            64            65 
      1   0.123514D+01  0.372777D+01 -0.323906D+01 -0.462820D+01  0.521201D+01
      2   0.407508D+01  0.241625D+01  0.125219D+02 -0.161263D+02  0.155926D+02
      3  -0.560621D+01 -0.905035D+01 -0.416292D+01  0.863894D+00 -0.632620D+01
                66            67            68            69            70 
      1  -0.523758D+01  0.746356D+01  0.215264D+01 -0.750526D+01 -0.759518D+01
      2  -0.126876D+01  0.147163D+02  0.121371D+02  0.270951D+00 -0.134926D+02
      3  -0.107606D+02  0.449409D+01 -0.105813D+02 -0.180651D+02 -0.115108D+02
                71            72            73            74            75 
      1  -0.116431D+01  0.401097D+01 -0.143101D+01  0.503030D+01 -0.594073D+01
      2   0.340573D+01  0.611352D+01  0.656210D+01  0.249061D+01  0.138769D+02
      3  -0.165855D+02  0.328233D+01 -0.248304D+01 -0.127456D+02  0.785735D-01
                76            77            78            79            80 
      1   0.211229D+01  0.294155D+01  0.504672D+01 -0.459899D+01  0.972316D+01
      2   0.372612D+00  0.389373D+01 -0.584556D+01  0.563214D+01 -0.815873D+01
      3  -0.607515D+01 -0.142748D+02 -0.970085D+01  0.190182D+01 -0.863694D+01
                81            82            83            84            85 
      1   0.406984D+00 -0.348670D+01 -0.125638D+02  0.864166D+01 -0.133159D+02
      2  -0.122372D+02  0.597749D+01  0.528368D+01 -0.337749D+01  0.783887D+01
      3   0.128353D+02  0.599066D+00 -0.985244D+01 -0.411604D+01  0.325395D+01
                86            87            88            89            90 
      1   0.103794D+01 -0.402730D+01  0.874276D+01  0.273523D+01 -0.115975D-01
      2   0.627454D+01  0.203558D+01 -0.447554D+01  0.335109D+01 -0.261689D+01
      3   0.163484D+02  0.547645D+01 -0.131824D+01  0.107845D+02 -0.104481D+02
                91            92            93            94            95 
      1   0.261113D+01 -0.661990D+01  0.336797D+01  0.139440D+01 -0.709889D+01
      2   0.260951D+01 -0.163891D+01  0.182204D+02  0.113712D+00  0.914965D+01
      3   0.681117D+01 -0.108606D+02 -0.157742D+01 -0.129320D+01 -0.157785D+02
                96            97            98            99           100 
      1  -0.942006D+01 -0.367029D+00  0.297298D+01  0.385516D+01 -0.878093D+00
      2  -0.109010D+02  0.106567D+02 -0.825795D+01  0.126795D+00 -0.457676D+01
      3  -0.495787D+01 -0.147534D+01 -0.395099D+00  0.622586D+01  0.751429D+01
               101           102           103           104           105 
      1   0.192327D+01 -0.193288D+01  0.512018D+00  0.438883D-01 -0.154127D+01
      2  -0.497509D+00  0.498075D+01 -0.617119D+00 -0.538008D+00  0.123453D+01
      3  -0.617106D+01  0.118543D+01 -0.561691D+00 -0.179202D+00  0.368001D+00
               106           107           108           109           110 
      1  -0.111996D+01 -0.517355D-01 -0.749974D+00 -0.952498D+00 -0.165735D+01
      2   0.130590D+01  0.152416D+01  0.240430D+01  0.506697D+01 -0.165519D+01
      3   0.328681D+00  0.352206D+00 -0.498967D+00 -0.265040D+01  0.239570D+01
               111           112           113           114           115 
      1   0.270260D+01 -0.692253D+00 -0.815357D+00 -0.219112D+01  0.689782D+00
      2  -0.656572D+01 -0.763295D+00  0.365507D+01  0.421681D+01 -0.581491D+01
      3   0.256719D+01  0.257420D+01 -0.176917D+01 -0.276645D+01  0.218890D+01
               116           117           118           119           120 
      1   0.186734D+01 -0.803193D+01  0.903949D+00  0.394142D+00  0.577612D-01
      2   0.584405D+01  0.217989D+02 -0.226011D+01 -0.730351D+00  0.247247D+00
      3  -0.437265D+01 -0.651604D+01  0.462264D+00 -0.124174D+01 -0.281325D+00
               121           122           123           124           125 
      1   0.101132D+01  0.223979D+01  0.791022D+00 -0.249831D+00  0.476015D+01
      2  -0.196320D+01 -0.677054D+00 -0.193280D+01 -0.416508D+01 -0.100784D+01
      3   0.188923D+01  0.503628D+00  0.902366D+00 -0.122178D+00  0.505129D+00
               126           127           128           129           130 
      1   0.329472D+01 -0.645502D+00  0.355795D+01  0.211736D+01  0.198969D+01
      2  -0.634269D+01 -0.138368D+01  0.430465D+00  0.477325D+00 -0.341894D+00
      3   0.145460D+01 -0.975373D+01  0.101183D+02  0.446855D+00  0.981643D+01
               131           132           133           134           135 
      1  -0.540025D+01 -0.492477D+01  0.961424D-02 -0.243196D+01 -0.170178D+01
      2  -0.131474D+01  0.227268D+00 -0.775044D+00  0.149362D+01  0.583847D+00
      3  -0.187870D+02 -0.605920D+00  0.216681D+01 -0.430392D+01 -0.173756D+01
               136           137           138           139           140 
      1   0.344192D+01  0.168803D+01 -0.590518D+01  0.174171D+01  0.161707D+01
      2  -0.422406D+00 -0.145741D+01  0.466361D+01 -0.168898D+01 -0.224230D+01
      3   0.424340D+01 -0.156246D+01 -0.157318D+01  0.479100D+00 -0.334744D+01
               141           142           143           144           145 
      1  -0.276220D+01 -0.571708D+01 -0.105247D+01  0.985648D+01  0.188821D+01
      2   0.215578D+01  0.150244D-01  0.280047D+01 -0.644093D+01 -0.313337D+01
      3   0.478102D+00 -0.400695D+01  0.133857D+01  0.147987D+01 -0.449252D+01
               146           147           148           149           150 
      1   0.688706D+00  0.302636D+01 -0.766324D-01 -0.142677D+01 -0.153715D+01
      2  -0.700312D+00  0.298864D+01  0.169457D+01  0.409746D+00 -0.153286D+00
      3  -0.246133D+01 -0.920412D+00  0.175353D+01  0.249535D+01  0.964114D-01
               151           152           153           154           155 
      1   0.152758D+01  0.511776D+00  0.445582D+01 -0.228366D+01 -0.475258D+01
      2  -0.233464D+01 -0.501585D+00  0.382311D+01  0.260178D+01  0.193208D+01
      3  -0.289138D+01 -0.191730D+00 -0.694769D+00  0.747928D+01  0.586963D+01
               156           157           158           159           160 
      1  -0.303825D+01 -0.340317D+01 -0.108527D+02 -0.541830D+01 -0.217752D+01
      2   0.775484D-01  0.144198D+01  0.280645D+01  0.641823D-01 -0.109318D+01
      3   0.733550D+00  0.753401D+01  0.138553D+02  0.153595D+01  0.321849D+01
               161           162           163           164           165 
      1  -0.363824D+01 -0.394076D+01  0.665163D+01 -0.470573D+01 -0.458613D+01
      2   0.316327D+00 -0.167183D+00  0.129365D+02 -0.246601D+01 -0.573933D+01
      3   0.572308D+01  0.235141D+01  0.617126D+01 -0.106428D+01 -0.349034D+01
               166           167           168           169           170 
      1  -0.458470D+01  0.332676D+01  0.172920D+01 -0.507362D+01  0.377024D+01
      2  -0.559579D+01  0.260644D+01  0.328498D+01 -0.900038D+01  0.197635D+01
      3   0.393750D+00  0.822832D+00  0.113254D+01 -0.333013D+01  0.179743D+01
               171           172           173           174           175 
      1   0.729881D+01  0.537116D+00  0.447403D+00 -0.923498D+00 -0.313442D-01
      2   0.882200D+01 -0.200509D+01 -0.487523D+01 -0.268977D+01 -0.289817D+01
      3   0.347196D+01  0.472491D+01  0.643425D+01  0.419313D+01  0.332523D+01
               176           177           178           179           180 
      1   0.236419D+01 -0.266126D+01  0.675027D+00  0.138276D+01 -0.271184D+01
      2  -0.103652D+02 -0.748033D+01 -0.105318D+01 -0.761227D+01 -0.845540D+01
      3   0.203237D+02  0.102592D+02  0.230001D+01  0.102255D+02  0.718930D+01
               181           182           183           184           185 
      1   0.483995D+01 -0.215882D+01  0.358381D+01 -0.274047D+01  0.147307D+01
      2   0.121026D+02 -0.542875D+01  0.937425D+01 -0.468203D+01  0.220317D+01
      3  -0.748203D+00 -0.535463D+01  0.952104D+00 -0.265629D+01  0.497618D+01
               186           187           188           189           190 
      1  -0.181320D+01  0.311691D+01 -0.291290D+00  0.291006D+01 -0.248230D+01
      2  -0.311262D+01  0.791940D+01 -0.330616D+01  0.782973D+01 -0.174647D+01
      3   0.322074D+00  0.150873D+01 -0.267801D+01  0.233751D+00 -0.437663D+01
               191           192           193           194           195 
      1  -0.244717D+01  0.268242D+01 -0.246780D+01 -0.627402D+01  0.377391D+01
      2  -0.253284D+01  0.514644D+01 -0.289938D+01 -0.553041D+01  0.730202D+01
      3  -0.403276D+01  0.477605D+01 -0.313467D+01 -0.933876D+01  0.759053D+01
               196           197           198           199           200 
      1   0.377810D+01  0.623251D+01 -0.628939D+01 -0.231059D-01 -0.405746D+00
      2   0.426454D+01  0.414750D+01 -0.132290D+02 -0.101809D+00  0.238119D+00
      3   0.484542D+01  0.830962D+01 -0.715397D+01  0.802645D+00  0.586094D+00
               201           202           203           204           205 
      1   0.368752D+00 -0.410837D+01 -0.490397D+00 -0.223856D+01  0.154520D+01
      2  -0.172158D+00 -0.131674D+01 -0.142804D+01 -0.771156D+00 -0.332590D+01
      3   0.732999D+00  0.298933D+01  0.616020D-01  0.147834D+00  0.172888D+01
               206           207           208           209           210 
      1   0.191595D+01 -0.355614D+01  0.751290D+00 -0.356095D+00 -0.776265D-01
      2  -0.513494D-01 -0.272962D+01  0.106439D+01 -0.201321D+00  0.215118D+00
      3   0.739987D+00 -0.186760D-02 -0.165214D+01 -0.592355D+00 -0.318656D+00
               211           212           213           214           215 
      1  -0.149598D+01  0.151966D+01 -0.521040D-01  0.426139D+00  0.403841D+01
      2   0.489250D-03  0.292866D+01  0.443671D+01 -0.384852D+01  0.376527D+01
      3   0.386963D+01 -0.180840D+01 -0.267885D+01 -0.582561D+00 -0.327027D+01
               216           217           218           219           220 
      1  -0.185409D+00  0.221724D+00  0.255094D+01  0.462482D+00 -0.142324D+00
      2   0.121262D+02 -0.161387D+01 -0.249621D+01 -0.293262D+01 -0.798136D+00
      3  -0.441982D+01  0.273838D+01  0.434403D+01  0.129556D+01  0.257424D+01
               221           222           223           224           225 
      1   0.125034D+02  0.127753D+01  0.156551D+01  0.731495D+00  0.500167D+00
      2  -0.692831D+01 -0.450663D+01 -0.130002D+01 -0.254622D+01 -0.314126D+01
      3   0.257572D+02  0.565923D+01  0.159552D+01  0.154355D+01  0.268300D+01
               226           227           228           229           230 
      1  -0.120768D+01  0.256278D+01 -0.364088D+01  0.299447D+00 -0.330999D+01
      2  -0.760707D+01  0.369566D+01 -0.114369D+02  0.306045D+01 -0.789572D+01
      3  -0.283184D+01  0.264262D+01 -0.147898D+01  0.223357D+01 -0.339393D+01
               231           232           233           234           235 
      1   0.441090D+01 -0.231107D+01  0.420325D+01 -0.567798D+01 -0.135068D+01
      2   0.102149D+02 -0.784455D+01  0.639856D+01 -0.195399D+02  0.209042D+01
      3   0.596276D+01 -0.112642D+01  0.421694D+01 -0.492325D+01 -0.406795D+01
               236           237           238           239           240 
      1  -0.195261D+01  0.757798D+00 -0.885155D+00  0.100221D+00 -0.565706D-01
      2   0.338187D+00  0.571147D+01 -0.255366D+00 -0.102619D+01  0.194912D+01
      3  -0.594050D+01  0.114603D+01 -0.249860D+01  0.449366D+00  0.152587D+01
               241           242           243 
      1   0.640884D+00  0.140304D+01 -0.823788D+00
      2   0.255601D+00  0.121324D+01 -0.204809D+01
      3   0.144364D+01  0.148397D+01 -0.169763D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.854890D+01  0.516317D+01 -0.657858D+01  0.125466D+01  0.658712D+01
      2   0.299712D+01 -0.198840D+02 -0.549494D+01 -0.144163D+02 -0.177878D+02
      3  -0.115460D+02  0.147209D+02  0.120735D+02  0.131617D+02  0.112007D+02
      4   0.119605D+02 -0.556333D+01  0.234563D+02 -0.278419D+01  0.570590D+01
      5  -0.191166D+02  0.188489D+02 -0.151800D+02  0.182716D+02  0.444428D+01
      6   0.141350D+02 -0.128764D+02  0.126711D+02 -0.889307D+01 -0.417520D+01
                 6             7             8             9            10 
      1   0.207372D+02 -0.599480D+01  0.210697D+02 -0.188949D+01 -0.180631D+00
      2  -0.138857D+02 -0.777548D+01 -0.168869D+02  0.796559D+01  0.591142D+01
      3  -0.685147D+01  0.137703D+02 -0.418277D+01 -0.607610D+01 -0.573079D+01
      4  -0.630479D+01  0.240402D+02 -0.826813D+01  0.438296D+01 -0.143937D+02
      5   0.677416D+01 -0.142762D+02  0.960831D+01 -0.830691D+01  0.135454D+02
      6   0.453438D+01  0.111142D+02  0.345731D+01  0.139668D+01 -0.123753D+02
                11            12            13            14            15 
      1  -0.276077D+01  0.895448D+01 -0.598012D+01 -0.102978D+02 -0.217002D+02
      2   0.543669D+01 -0.357937D+00  0.386988D+01  0.129998D+02  0.792985D+01
      3  -0.267592D+01 -0.859655D+01  0.211024D+01 -0.270198D+01  0.137704D+02
      4   0.310741D+00 -0.216244D+02  0.271942D+01 -0.275571D+02 -0.601680D+01
      5  -0.176031D+02 -0.285445D+01 -0.191877D+02 -0.165051D+02  0.111817D+01
      6   0.860266D+01 -0.426051D+01 -0.153887D+01 -0.161364D+01 -0.690033D+01
                16            17            18            19            20 
      1   0.888171D+01 -0.209513D+02 -0.289227D+01  0.400967D+02  0.111505D+02
      2   0.565539D+01  0.109897D+02 -0.302424D+01 -0.395727D+02 -0.155796D+02
      3  -0.145371D+02  0.996161D+01  0.591651D+01 -0.524024D+00  0.442911D+01
      4  -0.307298D+02 -0.941132D+00 -0.679215D+00  0.870973D+01 -0.110369D+02
      5  -0.515673D+01  0.812284D+00  0.268885D+01  0.167104D+02  0.525724D+01
      6  -0.484519D+01 -0.411013D+01  0.142546D+01  0.102267D+02 -0.389606D+00
                21            22            23            24            25 
      1   0.420558D+01  0.201407D+02  0.688540D+01  0.746938D+01 -0.130501D+01
      2  -0.370814D+01 -0.192622D+02 -0.125896D+02  0.280446D+01 -0.452255D+01
      3  -0.497439D+00 -0.878480D+00  0.570420D+01 -0.102738D+02  0.582755D+01
      4   0.595362D+01 -0.307843D+02 -0.486789D+01 -0.329486D+01  0.139908D+02
      5   0.427099D+01  0.557576D+01  0.571062D+01  0.485568D+01  0.300243D+01
      6   0.350934D+01  0.763997D+01  0.702188D+01  0.425105D+00  0.317833D+01
                26            27            28            29            30 
      1   0.923102D+01  0.145565D+02 -0.122138D+03 -0.129518D+02 -0.639224D+01
      2  -0.154167D+01  0.657693D+01  0.835710D+02  0.817407D+01  0.654962D+01
      3  -0.768935D+01 -0.211334D+02  0.385666D+02  0.477777D+01 -0.157379D+00
      4  -0.550883D+01  0.921706D+01 -0.141116D+02 -0.114652D+02  0.516082D+00
      5   0.536041D+01  0.595800D+01 -0.386482D+02 -0.197184D+01 -0.131695D+02
      6  -0.408599D+00 -0.206944D+01 -0.170958D+02 -0.630241D+01  0.257384D+00
                31            32            33            34            35 
      1  -0.356392D+02 -0.251138D+02  0.317408D+01 -0.305218D+02 -0.310118D+00
      2   0.260161D+02  0.222909D+02 -0.292423D+01  0.181480D+02 -0.199721D+01
      3   0.962303D+01  0.282288D+01 -0.249850D+00  0.123738D+02  0.230733D+01
      4  -0.974024D+01 -0.106946D+02  0.161523D+01 -0.670462D+01  0.143802D+01
      5  -0.100075D+02 -0.455250D+01 -0.167102D+00 -0.115437D+02  0.222014D+01
      6  -0.549861D+01 -0.932484D+01  0.458157D+01 -0.184209D+01  0.856721D+00
                36            37            38            39            40 
      1  -0.109835D+02  0.175766D+03  0.293360D+02  0.207622D+02  0.305562D+02
      2   0.124138D+01 -0.108242D+03 -0.177185D+02 -0.140255D+02 -0.160924D+02
      3   0.974213D+01 -0.675242D+02 -0.116175D+02 -0.673669D+01 -0.144638D+02
      4   0.143762D+01  0.329871D+02  0.189191D+02 -0.463538D+00  0.316807D+02
      5   0.192139D+01  0.596805D+02  0.392761D+01  0.128922D+02  0.441353D+01
      6  -0.498604D+01  0.193428D+02  0.631025D+01 -0.112155D+00  0.101859D+02
                41            42            43            44            45 
      1   0.587453D+01  0.930481D+01  0.789779D+01  0.853692D+01  0.126361D+02
      2   0.173124D+01  0.158130D+01 -0.109914D+02 -0.280278D+01 -0.166585D+01
      3  -0.760577D+01 -0.108861D+02  0.309365D+01 -0.573414D+01 -0.109703D+02
      4   0.717114D+01  0.291619D+01 -0.817802D+01 -0.239043D+01 -0.984574D+01
      5   0.302711D+01 -0.113028D+02  0.160052D+02 -0.876820D+01 -0.114129D+02
      6   0.104375D+01  0.400520D+01 -0.307121D+00  0.245524D+01 -0.972263D+01
                46            47            48            49            50 
      1  -0.163560D+03 -0.314998D+02 -0.389974D+02 -0.463530D+02 -0.175661D+02
      2   0.910390D+02  0.149835D+02  0.207734D+02  0.246048D+02  0.119054D+02
      3   0.725210D+02  0.165163D+02  0.182240D+02  0.217482D+02  0.566066D+01
      4  -0.528444D+02 -0.252273D+02 -0.986097D+01 -0.118531D+02 -0.891255D+01
      5  -0.750247D+02 -0.138612D+02 -0.238125D+02 -0.274767D+02 -0.257493D+01
      6  -0.193731D+02 -0.222535D+01 -0.559145D+01  0.359364D+00 -0.525270D+01
                51            52            53            54            55 
      1  -0.121045D+02 -0.339397D+02 -0.109405D+02 -0.181197D+02  0.176602D+03
      2   0.100788D+02  0.103830D+02  0.416105D+00  0.144432D+02 -0.929067D+02
      3   0.202564D+01  0.235567D+02  0.105243D+02  0.367652D+01 -0.836953D+02
      4  -0.100025D+01 -0.197215D+02  0.150866D+01  0.458974D+01  0.465209D+02
      5   0.485496D+01 -0.249682D+02  0.523513D+01  0.177711D+02  0.704547D+02
      6   0.194390D+01  0.334365D+01 -0.488145D+01 -0.430922D+01  0.104977D+02
                56            57            58            59            60 
      1   0.311726D+02  0.397553D+02  0.531351D+02  0.286665D+02  0.631847D+01
      2  -0.121623D+02 -0.249450D+02 -0.230742D+02 -0.657434D+01 -0.178359D+01
      3  -0.190104D+02 -0.148102D+02 -0.300610D+02 -0.220921D+02 -0.453487D+01
      4   0.325369D+02  0.100047D+02  0.534736D+02  0.338932D+02  0.173073D+02
      5   0.120904D+02  0.367500D+02  0.207879D+02  0.188896D+02  0.879652D+01
      6   0.578688D+01  0.461519D+01  0.103664D+02  0.853767D+01  0.961789D+01
                61            62            63            64            65 
      1   0.802242D+02  0.115247D+02  0.287187D+02 -0.305444D+02  0.170976D+02
      2  -0.493995D+02 -0.481277D+01 -0.256319D+02  0.943475D+01 -0.578898D+01
      3  -0.308247D+02 -0.671191D+01 -0.308672D+01  0.211097D+02 -0.113086D+02
      4   0.224069D+02  0.129363D+02  0.118791D+02  0.176623D+02 -0.109050D+01
      5   0.656461D+02  0.139023D+02  0.400770D+02 -0.207975D+02  0.250296D+02
      6   0.102158D+02  0.102616D+02  0.561603D+01  0.110807D+02 -0.116044D+02
                66            67            68            69            70 
      1  -0.164656D+02  0.988065D+01  0.106171D+02  0.347973D+02 -0.258358D+02
      2  -0.774596D+00  0.114023D+01 -0.705297D+01 -0.263044D+02  0.169217D+01
      3   0.172402D+02 -0.110209D+02 -0.356415D+01 -0.849282D+01  0.241436D+02
      4   0.301626D+02 -0.626019D+01  0.109711D+02  0.108938D+02  0.357639D+02
      5  -0.974205D-01  0.258712D+02  0.162671D+02 -0.129678D+02 -0.456108D+01
      6  -0.501738D+01 -0.765632D+01 -0.125451D+02 -0.677873D+01 -0.307041D+01
                71            72            73            74            75 
      1   0.359106D+02 -0.557602D+01 -0.500811D+02 -0.181131D+02 -0.142960D+02
      2  -0.268561D+02  0.612799D+01  0.212746D+02  0.816960D+01 -0.220302D+01
      3  -0.905458D+01 -0.551968D+00  0.288065D+02  0.994353D+01  0.164990D+02
      4   0.777507D+01 -0.459147D+01 -0.246059D+02  0.364973D+00 -0.316389D+01
      5  -0.911536D+01  0.100848D+02 -0.171192D+02 -0.373340D+01  0.101594D+02
      6  -0.761400D+01  0.385935D-01 -0.329999D+01 -0.292687D+01  0.905006D+01
                76            77            78            79            80 
      1  -0.146463D+02  0.845594D+01 -0.320736D+01 -0.370725D+01 -0.141325D+01
      2   0.111747D+02 -0.134296D+01  0.113540D+02 -0.567195D+01  0.799192D+01
      3   0.347156D+01 -0.711299D+01 -0.814664D+01  0.937920D+01 -0.657867D+01
      4   0.898854D+01  0.296697D+02  0.109579D+02 -0.134917D+00  0.353261D+01
      5  -0.596664D+01  0.183241D+02 -0.888990D+01  0.131173D+02 -0.878361D+01
      6   0.403558D+01  0.103841D+02 -0.209771D+01  0.737469D+01 -0.421736D+01
                81            82            83            84            85 
      1   0.240865D+02 -0.821054D+01 -0.129034D+02 -0.867397D+01 -0.147608D+02
      2  -0.531930D+01  0.138158D+02  0.302233D+02  0.109550D+02  0.272832D+02
      3  -0.187672D+02 -0.560526D+01 -0.173199D+02 -0.228104D+01 -0.125224D+02
      4  -0.424472D+01  0.617634D+01  0.925662D+01  0.969014D+01  0.200683D+02
      5  -0.848804D+01  0.140452D+01  0.962184D+01 -0.179949D+02  0.751976D+01
      6  -0.102807D+02  0.917796D+00  0.930912D+01 -0.161305D+02  0.234509D+01
                86            87            88            89            90 
      1   0.130371D+02  0.682817D+01 -0.247125D+02  0.825025D+01 -0.125631D+02
      2  -0.140391D+02 -0.612914D+01  0.251223D+02 -0.643817D+01  0.937820D+01
      3   0.100204D+01 -0.699033D+00 -0.409831D+00 -0.181208D+01  0.318491D+01
      4   0.118275D+02  0.587030D+01  0.159527D+02  0.119394D+02 -0.108825D+02
      5  -0.287556D+01 -0.375919D+00 -0.256327D+02 -0.638850D+01  0.574874D+01
      6  -0.480377D+01 -0.172453D+01 -0.198667D+02 -0.378996D+01  0.659664D+01
                91            92            93            94            95 
      1  -0.577523D+02 -0.349853D+01  0.345325D+02 -0.119009D+02  0.245269D+02
      2   0.359729D+02 -0.409048D+01 -0.101889D+02  0.372328D+01 -0.193391D+02
      3   0.217794D+02  0.758900D+01 -0.243436D+02  0.817765D+01 -0.518775D+01
      4  -0.225952D+01  0.160414D+02 -0.311138D-01  0.107752D+02  0.241992D+02
      5   0.318002D+02  0.193634D+01  0.866951D+01  0.700365D+01  0.336007D+01
      6   0.216959D+01 -0.774951D+01  0.139696D+01 -0.510681D+01 -0.108598D+02
                96            97            98            99           100 
      1  -0.281760D+01  0.183490D+02 -0.517189D+01  0.163901D+02  0.849846D+02
      2  -0.105835D+02 -0.244139D+01 -0.340134D+01 -0.897788D+01 -0.409376D+02
      3   0.134011D+02 -0.159076D+02  0.857323D+01 -0.741222D+01 -0.440470D+02
      4   0.632969D+01  0.322350D+01  0.191716D+01 -0.148346D+02  0.373630D+02
      5  -0.140384D+02  0.162104D+02 -0.127588D+02 -0.139058D+02  0.260778D+02
      6  -0.404001D+01 -0.119071D+01  0.172742D+01  0.114601D+02  0.801290D+01
               101           102           103           104           105 
      1   0.162075D+02  0.139447D+02  0.721995D+01  0.787259D+01  0.127878D+01
      2  -0.428665D+01 -0.836551D+01 -0.153556D+00  0.220770D+00 -0.126381D+01
      3  -0.119208D+02 -0.557916D+01 -0.706639D+01 -0.809336D+01 -0.149663D-01
      4   0.208153D+02  0.788084D+01  0.166856D+02  0.815057D+01  0.300781D+01
      5   0.661798D+01  0.145888D+02  0.350297D+01  0.245489D+01  0.264821D+01
      6   0.457992D+01  0.417222D+01  0.338868D+01  0.621992D+00  0.306076D+01
               106           107           108           109           110 
      1   0.378647D+01  0.112852D+01  0.556820D+01  0.474186D+00  0.599657D+01
      2  -0.326319D+01 -0.252842D+01 -0.502941D+01 -0.251911D+01 -0.350830D+01
      3  -0.523280D+00  0.139989D+01 -0.538796D+00  0.204492D+01 -0.248827D+01
      4   0.272846D+01  0.304068D+00  0.570517D+01  0.210617D+01 -0.178166D+01
      5   0.123326D+02  0.463957D+01  0.707209D+01  0.320109D+01  0.591941D-01
      6   0.337867D+01  0.284700D+01  0.348842D+01  0.399861D+01 -0.337564D+01
               111           112           113           114           115 
      1   0.110584D+02  0.265207D+01 -0.785297D+01 -0.536901D+01  0.725017D+01
      2  -0.201518D+00 -0.193863D+01  0.330050D+01  0.193945D+01 -0.319353D+01
      3  -0.108569D+02 -0.713438D+00  0.455247D+01  0.342956D+01 -0.405665D+01
      4   0.131068D+01  0.175867D+01  0.177166D+01  0.402853D+01  0.330484D+01
      5  -0.372266D+01  0.145556D+01  0.287815D+01  0.603289D+01  0.449004D+01
      6  -0.626582D+01 -0.102584D+01  0.636401D+01  0.113680D+02  0.192275D+00
               116           117           118           119           120 
      1  -0.787389D+01 -0.249066D+02  0.686535D+00 -0.204789D+00 -0.222901D+01
      2   0.137165D+01 -0.892874D+01 -0.458729D+01  0.119013D-01 -0.161871D+00
      3   0.650224D+01  0.338353D+02  0.390075D+01  0.192888D+00  0.239089D+01
      4   0.795905D+01  0.804973D+01 -0.138228D+01  0.295628D+01  0.448037D+00
      5   0.939972D+01  0.300357D+02 -0.651392D+00  0.144022D+01  0.681915D+01
      6   0.119535D+02  0.230604D+02  0.153507D+01  0.225889D+00 -0.339554D-01
               121           122           123           124           125 
      1   0.673949D+00 -0.687738D+01 -0.550043D+01 -0.138576D+01 -0.274268D+01
      2  -0.454252D+00  0.208032D+01 -0.241188D+01  0.148099D+01 -0.271574D+01
      3  -0.219697D+00  0.479705D+01  0.791231D+01 -0.952284D-01  0.545842D+01
      4   0.234926D+01 -0.269383D+01 -0.243064D+01 -0.312990D-02 -0.283130D+01
      5   0.193224D+01 -0.258153D+01 -0.351943D+01  0.535873D+01 -0.257986D+01
      6  -0.241465D+00  0.238087D+01  0.703900D+01 -0.644309D+00  0.582198D+01
               126           127           128           129           130 
      1  -0.246775D+02 -0.844547D+01  0.196602D+02  0.868491D+00  0.112612D+02
      2  -0.130289D+02  0.111578D+02 -0.279689D+02 -0.168923D+01 -0.147396D+02
      3   0.377065D+02 -0.271229D+01  0.830876D+01  0.820735D+00  0.347842D+01
      4  -0.443306D+01 -0.503296D+01  0.273852D+01 -0.715429D+00  0.585750D+01
      5  -0.126632D+02  0.442543D+00 -0.110487D+01  0.176918D+01 -0.978845D+00
      6   0.225997D+01  0.166299D+00 -0.102183D+00 -0.202302D+01  0.231494D+00
               131           132           133           134           135 
      1  -0.366200D+02 -0.693071D+00  0.422491D+01 -0.643399D+01 -0.433771D+01
      2   0.567499D+02  0.200183D+01 -0.394122D+01  0.100530D+02  0.528857D+01
      3  -0.201300D+02 -0.130876D+01 -0.283697D+00 -0.361904D+01 -0.950864D+00
      4   0.855253D+01 -0.311626D+00  0.314344D+00  0.144117D+01  0.218330D+01
      5   0.534418D+00  0.216239D+01  0.364704D+01  0.274027D+01 -0.204613D-01
      6  -0.578190D+00  0.733703D+01  0.549408D+00  0.870455D+01  0.162629D+01
               136           137           138           139           140 
      1   0.114503D+02  0.147314D+01 -0.254588D+01  0.296008D+01 -0.575962D+01
      2  -0.481310D+01  0.161512D+01  0.777454D+00 -0.493534D+00  0.971733D+01
      3  -0.663716D+01 -0.308826D+01  0.176843D+01 -0.246655D+01 -0.395771D+01
      4   0.177109D+02  0.140698D+02 -0.118392D+02  0.103737D+02  0.121489D+02
      5  -0.177272D+02 -0.100801D+02  0.181142D+02 -0.589540D+01 -0.918598D+01
      6  -0.109118D+02 -0.917895D+01  0.125232D+02 -0.681995D+01 -0.107447D+02
               141           142           143           144           145 
      1   0.282538D+01  0.211663D+00  0.610402D+01 -0.601038D+01  0.155057D+02
      2  -0.433821D+01 -0.875039D+00 -0.687523D+01 -0.252591D+01 -0.108174D+02
      3   0.151283D+01  0.663375D+00  0.771211D+00  0.853629D+01 -0.468834D+01
      4  -0.959247D+01 -0.168449D+02 -0.156174D+02  0.159550D+02 -0.254861D+02
      5   0.796979D+01  0.212927D+02  0.144073D+02 -0.259486D+02  0.279174D+02
      6   0.101903D+02  0.157932D+02  0.170329D+02 -0.235609D+02 -0.139558D+02
               146           147           148           149           150 
      1  -0.155455D+01  0.269332D+01 -0.768473D+00 -0.326533D+01  0.167464D+01
      2  -0.646064D+00 -0.645083D+01 -0.836633D+00  0.723756D+01 -0.135519D+01
      3   0.220061D+01  0.375751D+01  0.160511D+01 -0.397223D+01 -0.319452D+00
      4   0.191377D+02 -0.170923D+02  0.139431D+02 -0.144217D+02  0.104779D+02
      5  -0.146012D+02  0.242207D+02 -0.936111D+01  0.942454D+01 -0.867008D+01
      6   0.130688D+02 -0.145422D+02  0.927695D+01 -0.110454D+02  0.104481D+02
               151           152           153           154           155 
      1   0.340461D+01  0.197175D+01 -0.334114D+01 -0.658741D+01 -0.111434D+02
      2  -0.622632D+01  0.341300D+00 -0.799313D+01  0.827845D+01  0.169439D+02
      3   0.282170D+01 -0.231305D+01  0.113343D+02 -0.169103D+01 -0.580044D+01
      4  -0.141872D+02  0.106854D+02 -0.139914D+02  0.212082D+01  0.331190D+01
      5   0.206087D+02 -0.119821D+02  0.235030D+02 -0.114466D+01 -0.452105D+01
      6  -0.116392D+02  0.118359D+02 -0.168224D+02 -0.159784D+01 -0.176981D+01
               156           157           158           159           160 
      1   0.999896D+00 -0.706049D+01 -0.253439D+02 -0.158468D+01 -0.192489D+01
      2   0.224611D+01  0.108541D+02  0.424869D+02  0.591977D+01  0.364035D+01
      3  -0.324601D+01 -0.379361D+01 -0.171431D+02 -0.433509D+01 -0.171546D+01
      4  -0.121157D+01  0.480914D+01 -0.907069D+01  0.664770D+00  0.241799D-02
      5   0.895497D+00 -0.461585D+01 -0.523474D+01 -0.390715D+01  0.611935D+00
      6   0.197818D+01 -0.390284D+00 -0.602612D+01  0.606545D+01  0.489325D+00
               161           162           163           164           165 
      1  -0.917627D+01 -0.350043D+01 -0.761781D+01 -0.229139D+01  0.109694D+02
      2   0.150240D+02  0.490795D+01 -0.509430D+01  0.606065D+01  0.458240D+01
      3  -0.584770D+01 -0.140752D+01  0.127121D+02 -0.376927D+01 -0.155518D+02
      4  -0.365724D+01 -0.912307D+00  0.688320D+01 -0.130435D+01 -0.610545D+01
      5  -0.355498D+01 -0.219102D+01 -0.444469D+01 -0.815572D+00  0.360617D+01
      6   0.385420D+01  0.396798D+01 -0.245502D+01 -0.239553D+01  0.380540D+01
               166           167           168           169           170 
      1   0.182171D+01 -0.292066D+01 -0.634717D+01  0.863644D+01 -0.236595D+01
      2   0.393873D+01 -0.137055D+00 -0.211445D+01  0.487011D+01 -0.181738D+01
      3  -0.576044D+01  0.305772D+01  0.846162D+01 -0.135065D+02  0.418334D+01
      4  -0.262459D+01  0.302183D+01  0.195842D+01 -0.715971D+01  0.232264D+01
      5   0.113514D+00 -0.983251D+00  0.190723D+01  0.540612D+01 -0.133063D+01
      6  -0.205419D+01  0.314789D+01  0.110379D+01  0.172368D+01  0.373624D+01
               171           172           173           174           175 
      1  -0.157840D+02 -0.352002D+01 -0.130510D+02 -0.548707D+01 -0.945781D+01
      2  -0.947883D+01  0.356506D+01  0.104978D+02  0.308153D+01  0.386958D+01
      3   0.252628D+02 -0.450423D-01  0.255320D+01  0.240554D+01  0.558823D+01
      4   0.480716D+01 -0.140538D+01 -0.388500D+01 -0.445059D+01  0.769937D+01
      5   0.197188D+01  0.205664D+01 -0.361732D+01 -0.252528D+01  0.193979D+01
      6  -0.647555D+01  0.185854D+01  0.693377D+01  0.526947D+01 -0.251790D+00
               176           177           178           179           180 
      1  -0.234467D+02 -0.142557D+02 -0.226353D+01 -0.146842D+02 -0.106375D+02
      2   0.273780D+02  0.104566D+02  0.187978D+01  0.103023D+02  0.358947D+01
      3  -0.393134D+01  0.379915D+01  0.383755D+00  0.438191D+01  0.704799D+01
      4  -0.297366D+02 -0.139479D+02  0.127807D+00 -0.135956D+02 -0.980761D+01
      5  -0.141055D+02 -0.105343D+02  0.462936D+01 -0.980751D+01 -0.136261D+02
      6   0.214129D+02  0.154495D+02 -0.121017D+00  0.152635D+02  0.137199D+02
               181           182           183           184           185 
      1   0.719522D+02 -0.196596D+02  0.141985D+02 -0.171764D+02  0.939178D+01
      2  -0.289078D+02  0.379002D+01 -0.399758D+01  0.178684D+01  0.136134D+01
      3  -0.430444D+02  0.158695D+02 -0.102010D+02  0.153895D+02 -0.107531D+02
      4  -0.379243D+02  0.208157D+02 -0.906920D+01  0.229656D+02 -0.176484D+02
      5   0.899724D+01 -0.441313D+01  0.125543D+02 -0.414659D+01  0.147830D+01
      6  -0.364238D+01  0.167261D+01 -0.372872D+01  0.149947D+01  0.547561D-01
               186           187           188           189           190 
      1  -0.571961D+01  0.306108D+02 -0.102265D+02  0.120997D+02  0.192889D+02
      2   0.159055D+01 -0.106265D+02  0.229677D+01 -0.551081D+01 -0.135947D+02
      3   0.412906D+01 -0.199844D+02  0.792974D+01 -0.658891D+01 -0.569416D+01
      4   0.420010D+01 -0.201428D+02  0.116011D+02 -0.760311D+01  0.250753D+01
      5  -0.282730D+01  0.140647D+02 -0.448668D+01  0.121798D+02 -0.141133D+02
      6   0.372958D+01 -0.472660D+01  0.376655D+01 -0.499829D+01 -0.136240D+01
               191           192           193           194           195 
      1   0.468007D+01 -0.904453D+01  0.137447D+02  0.357655D+01 -0.932693D+01
      2  -0.487328D+01  0.104501D+02 -0.111490D+02 -0.536036D+01  0.127232D+02
      3   0.193214D+00 -0.140559D+01 -0.259570D+01  0.178381D+01 -0.339623D+01
      4   0.599140D+01 -0.598021D+01  0.625946D+01  0.137487D+02 -0.980541D+01
      5  -0.839017D+01  0.155425D+02 -0.150751D+02 -0.119579D+02  0.180073D+02
      6  -0.159909D+00  0.224247D+00 -0.356728D+00 -0.363143D+01  0.325200D+01
               196           197           198           199           200 
      1  -0.111980D+02 -0.667411D+01  0.802184D+01 -0.889395D+00 -0.155859D+01
      2   0.138028D+02  0.101164D+02 -0.193567D+02  0.184219D+01  0.139385D+01
      3  -0.260480D+01 -0.344231D+01  0.113349D+02 -0.952796D+00  0.164748D+00
      4  -0.586311D+01 -0.105153D+02  0.739343D+01 -0.919078D+00  0.116936D+01
      5   0.220691D+02  0.110564D+02 -0.330192D+02 -0.296120D+01  0.105337D+01
      6  -0.506417D+00  0.491469D+01  0.654343D+00  0.735702D+00  0.653944D-01
               201           202           203           204           205 
      1  -0.192578D+01 -0.157126D+01 -0.113670D+01 -0.439328D+01 -0.285986D+01
      2   0.160409D+01 -0.167284D+01  0.124099D+01  0.239687D+01  0.234148D+01
      3   0.321699D+00  0.324410D+01 -0.104290D+00  0.199641D+01  0.518374D+00
      4   0.183510D+01  0.955643D+00 -0.107507D+01 -0.220506D+01  0.255634D+01
      5   0.354547D+01  0.893215D+00 -0.733181D+00 -0.220091D+01  0.378596D+01
      6  -0.319028D+00 -0.720976D+00  0.360599D+01  0.332683D+01  0.443305D-01
               206           207           208           209           210 
      1  -0.481349D+01 -0.809930D+01  0.113128D+00  0.139742D+01  0.318618D+01
      2   0.373103D+01  0.134899D+01 -0.229430D+01 -0.751987D+00 -0.905456D+00
      3   0.108246D+01  0.675031D+01  0.218117D+01 -0.645429D+00 -0.228072D+01
      4  -0.204714D+01 -0.413866D+01  0.169758D+01  0.190118D+01  0.180277D+01
      5  -0.332343D+01 -0.701639D+01  0.316900D+01  0.214303D+01  0.608950D+01
      6   0.445025D+01  0.685145D+01  0.218326D+01 -0.151849D+00  0.467448D+00
               211           212           213           214           215 
      1   0.210951D+01 -0.646041D+01 -0.821849D+01  0.294628D+01 -0.780461D+01
      2  -0.309951D+01  0.173069D+01 -0.172781D+00 -0.252551D+01  0.924321D+00
      3   0.990001D+00  0.472972D+01  0.839127D+01 -0.420769D+00  0.688029D+01
      4  -0.541044D+00  0.337222D+01  0.391020D+01  0.231075D+01  0.416949D+01
      5   0.303972D+01  0.474801D+01  0.852909D+01  0.461127D+01  0.676291D+01
      6  -0.770991D+00  0.546651D+01  0.663416D+01  0.149697D+01  0.786043D+01
               216           217           218           219           220 
      1  -0.241656D+02  0.277752D+01 -0.869690D+01 -0.622701D+01 -0.101436D+02
      2  -0.651990D+01  0.264338D+00  0.682239D+01  0.167095D+01  0.544965D+01
      3   0.306855D+02 -0.304186D+01  0.187451D+01  0.455605D+01  0.469398D+01
      4   0.564633D+01 -0.339487D+01 -0.322529D+01 -0.104643D+01  0.571744D+01
      5   0.222663D+02 -0.154360D+01  0.649373D+00 -0.363303D+01  0.693932D+01
      6   0.952891D+01  0.216167D+01  0.391414D+01  0.172516D+01 -0.108129D+01
               221           222           223           224           225 
      1  -0.215430D+02 -0.389552D+01 -0.453562D+01 -0.300351D+01 -0.723317D+01
      2   0.286467D+02  0.255616D+01  0.193108D+01  0.106540D+00  0.284086D+01
      3  -0.710366D+01  0.133936D+01  0.260454D+01  0.289697D+01  0.439231D+01
      4  -0.441442D+02 -0.104249D+02 -0.972346D+00 -0.308546D+01 -0.411507D+01
      5  -0.783873D+01 -0.108584D+02  0.298846D+00 -0.399908D+01 -0.317733D+01
      6   0.201557D+02  0.991271D+01  0.422119D-01  0.691036D+01  0.269701D+01
               226           227           228           229           230 
      1  -0.570305D+01  0.689410D+01 -0.166827D+02  0.814654D+01 -0.123587D+02
      2  -0.102674D+01 -0.140588D+01  0.199273D+00 -0.362767D+01  0.459606D+01
      3   0.672979D+01 -0.548822D+01  0.164835D+02 -0.451887D+01  0.776264D+01
      4   0.413228D+01 -0.572689D+01  0.158988D+01 -0.218118D+01  0.534606D+01
      5  -0.123693D+01 -0.299096D+00 -0.831077D+01 -0.307008D+01 -0.667974D+01
      6  -0.298730D+01  0.458147D+01 -0.262397D+01  0.240330D+01 -0.593599D+01
               231           232           233           234           235 
      1   0.913706D+01 -0.163832D+02  0.770249D+01 -0.234319D+02  0.855383D+02
      2   0.335836D+01  0.523442D+01  0.156424D+01 -0.719103D+01 -0.480884D+02
      3  -0.124954D+02  0.111487D+02 -0.926673D+01  0.306229D+02 -0.374499D+02
      4  -0.857259D+01  0.312741D+01 -0.848120D+01  0.798319D+01 -0.766932D+01
      5   0.127227D+02  0.139159D+01  0.641451D+01 -0.228262D+02 -0.453287D+02
      6   0.906070D+01 -0.184407D+01  0.691248D+01 -0.671273D+01  0.342602D-01
               236           237           238           239           240 
      1  -0.862489D+00 -0.231170D+02  0.516190D+01  0.653140D+01 -0.119339D+01
      2  -0.197167D+00  0.168471D+02 -0.322213D+01 -0.237089D+01  0.213937D+01
      3   0.105966D+01  0.626997D+01 -0.193977D+01 -0.416051D+01 -0.945975D+00
      4   0.117799D+02  0.217620D+01  0.111048D+02 -0.161860D+01 -0.463131D+01
      5   0.509721D+00  0.252170D+02 -0.347819D+01 -0.573252D+01  0.388040D+01
      6  -0.384253D+01 -0.101674D+01 -0.372541D+01  0.511784D+00  0.285917D+01
               241           242           243 
      1  -0.135895D+02  0.374433D+00  0.980247D+01
      2   0.115387D+02  0.662613D+00 -0.979570D+01
      3   0.205084D+01 -0.103705D+01 -0.677105D-02
      4   0.791724D+00 -0.259110D+01  0.849794D+00
      5   0.189748D+02  0.142856D+01 -0.130769D+02
      6  -0.122409D+01  0.220871D+01 -0.277549D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.166789D+01      0.423937D+01      0.141410D+02
   x          0.146430D+01      0.372188D+01      0.124149D+02
   y          0.466288D+00      0.118519D+01      0.395335D+01
   z          0.648282D+00      0.164777D+01      0.549637D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124177D+03      0.184011D+02      0.204740D+02
   aniso      0.563618D+02      0.835196D+01      0.929281D+01
   xx         0.160415D+03      0.237711D+02      0.264489D+02
   yx         0.622842D+01      0.922956D+00      0.102693D+01
   yy         0.104663D+03      0.155094D+02      0.172565D+02
   zx         0.405451D+01      0.600816D+00      0.668498D+00
   zy         0.409679D+01      0.607081D+00      0.675469D+00
   zz         0.107452D+03      0.159228D+02      0.177165D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132543D+03      0.196409D+02      0.218535D+02
   aniso      0.608517D+02      0.901729D+01      0.100331D+02
   xx         0.171416D+03      0.254013D+02      0.282627D+02
   yx         0.710898D+01      0.105344D+01      0.117211D+01
   yy         0.111810D+03      0.165686D+02      0.184350D+02
   zx         0.559954D+01      0.829767D+00      0.923240D+00
   zy         0.417271D+01      0.618332D+00      0.687988D+00
   zz         0.114404D+03      0.169529D+02      0.188626D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.27836191         -3.61710130          2.61046671
     6          1.50951590         -1.44398806          3.17764798
     6          1.77072531          0.70961947          1.11459093
     6         -0.32890338          0.86031149         -0.73141950
     6         -0.06501574          0.70888235         -3.23649688
     6         -2.14640079          0.84296564         -5.08775533
     8         -1.69388729          0.66987955         -7.33592982
     6          4.11513983         -2.44159599          3.89381125
     6          0.56016011          0.58879065          5.07141817
     6          1.55925238          2.67737994          3.29639630
     6         -4.83217440          1.18934480         -4.15633898
     1          1.34309249          0.50964838          6.97579973
     1         -1.49629311          0.60526589          5.21509600
     1          3.57383253          0.67817144          0.11660387
     1          0.31849597          4.28234775          2.94631595
     1          3.40403005          3.39551635          3.85696480
     1         -0.42718505         -4.86371366          4.25049697
     1          0.39998526         -4.74254338          1.01799543
     1         -2.17620762         -2.95726272          2.15202005
     1          4.91709408         -3.56395206          2.35761727
     1          3.99411432         -3.64399252          5.56831993
     1          5.42972759         -0.90739559          4.31140581
     1         -2.20827758          1.11578711          0.05396006
     1          1.78910303          0.46224388         -4.07681973
     1         -5.01717245          2.93836448         -3.07718033
     1         -5.38487775         -0.36572568         -2.91735034
     1         -6.09195916          1.25054972         -5.77772562

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.166789D+01      0.423937D+01      0.141410D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.166789D+01      0.423937D+01      0.141410D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124177D+03      0.184011D+02      0.204740D+02
   aniso      0.563618D+02      0.835196D+01      0.929281D+01
   xx         0.114975D+03      0.170376D+02      0.189569D+02
   yx        -0.395703D+01     -0.586371D+00     -0.652426D+00
   yy         0.102783D+03      0.152309D+02      0.169467D+02
   zx         0.169253D+02      0.250808D+01      0.279061D+01
   zy        -0.419275D+01     -0.621302D+00     -0.691292D+00
   zz         0.154771D+03      0.229347D+02      0.255183D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132543D+03      0.196409D+02      0.218535D+02
   aniso      0.608517D+02      0.901729D+01      0.100331D+02
   xx         0.121413D+03      0.179915D+02      0.200183D+02
   yx        -0.392254D+01     -0.581260D+00     -0.646739D+00
   yy         0.109855D+03      0.162788D+02      0.181126D+02
   zx         0.175230D+02      0.259664D+01      0.288915D+01
   zy        -0.454677D+01     -0.673762D+00     -0.749661D+00
   zz         0.166363D+03      0.246524D+02      0.274295D+02

 ----------------------------------------------------------------------
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 ASKING FOR EFFICIENCY AND ADAPTABILITY IN THE SAME PROGRAM IS LIKE
 ASKING FOR A BEAUTIFUL AND MODEST WIFE ...
 WE'LL PROBABLY HAVE TO SETTLE FOR ONE OR THE OTHER.

             -- THE PSYCHOLOGY OF COMPUTER PROGRAMMING
                GERALD M. WEINBERG
 Job cpu time:       0 days 18 hours  9 minutes 18.0 seconds.
 Elapsed time:       0 days  2 hours 16 minutes 18.4 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 23:27:37 2021.
